diethyl 2-[(E)-2-[3-[[3-methoxy-4-(2-methoxyethoxymethoxy)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]ethenyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[(E)-2-[3-[[3-methoxy-4-(2-methoxyethoxymethoxy)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]ethenyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(E)-2-[3-[[3-methoxy-4-(2-methoxyethoxymethoxy)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]vinyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(E)-2-[3-[[3-methoxy-4-(2-methoxyethoxymethoxy)-4-methyl-1-piperazin-4-iumyl]methyl]phenyl]ethenyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(E)-2-[3-[[3-methoxy-4-(2-methoxyethoxymethoxy)-4-methylpiperazin-4-ium-1-yl]methyl]phenyl]ethenyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(E)-2-[3-[[3-methoxy-4-(2-methoxyethoxymethoxy)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]vinyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C37H49N4O10+ MolecularWeight: 709.80576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C=CC3=CC(=CC=C3)CN4CC[N+](C(C4)OC)(C)OCOCCOC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)/C=C/C3=CC(=CC=C3)CN4CC[N+](C(C4)OC)(C)OCOCCOC)C

InChI

InChI=1S/C37H48N4O10/c1-7-49-36(42)33-26(3)38-31(35(37(43)50-8-2)34(33)29-13-10-14-30(22-29)40(44)45)16-15-27-11-9-12-28(21-27)23-39-17-18-41(4,32(24-39)47-6)51-25-48-20-19-46-5/h9-16,21-22,32,34H,7-8,17-20,23-25H2,1-6H3/p+1/b16-15+