O5-[1-[1-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl] O3-methyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[1-[1-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl] O3-methyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[1-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl] O3-methyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-[1-(diphenylmethyl)-1-piperazin-1-iumyl]ethyl] ester O3-methyl ester IUPAC Name: 5-O-[1-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl] 3-O-methyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl] ester O3-methyl ester Formula: C37H40N3O4+ MolecularWeight: 590.7312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)[N+]2(CCNCC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC(=C5)C#C)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)[N+]2(CCNCC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC(=C5)C#C)C(=O)OC

InChI

InChI=1S/C37H39N3O4/c1-6-28-14-13-19-31(24-28)34-32(36(41)43-5)25(2)39-26(3)33(34)37(42)44-27(4)40(22-20-38-21-23-40)35(29-15-9-7-10-16-29)30-17-11-8-12-18-30/h1,7-19,24,27,34-35,38H,20-23H2,2-5H3/p+1