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

Systemtic Name: O5-[1-[1-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl] O3-(1-methoxyethyl) 2-azanyl-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[1-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl] O3-(1-methoxyethyl) 2-amino-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-amino-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-[1-(diphenylmethyl)-1-piperazin-1-iumyl]ethyl] ester O3-(1-methoxyethyl) ester IUPAC Name: 5-O-[1-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl] 3-O-(1-methoxyethyl) 2-amino-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amino-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl] ester O3-(1-methoxyethyl) ester Formula: C38H43N4O5+ MolecularWeight: 635.77182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)OC(C)OC)C2=CC=CC(=C2)C#C)C(=O)OC(C)[N+]3(CCNCC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)OC(C)OC)C2=CC=CC(=C2)C#C)C(=O)OC(C)[N+]3(CCNCC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C38H42N4O5/c1-6-28-14-13-19-31(24-28)33-32(25(2)41-36(39)34(33)38(44)47-27(4)45-5)37(43)46-26(3)42(22-20-40-21-23-42)35(29-15-9-7-10-16-29)30-17-11-8-12-18-30/h1,7-19,24,26-27,33,35,40H,20-23H2,2-5H3,(H2-,39,41,43,44)/p+1