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

Systemtic Name: O3-[1-[1-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl] O5-propan-2-yl 2-(dimethoxymethyl)-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-[1-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl] O5-isopropyl 2-(dimethoxymethyl)-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(dimethoxymethyl)-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[1-[1-(diphenylmethyl)-1-piperazin-1-iumyl]ethyl] ester O5-propan-2-yl ester IUPAC Name: 3-O-[1-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl] 5-O-propan-2-yl 2-(dimethoxymethyl)-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(dimethoxymethyl)-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[1-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl] ester O5-isopropyl ester Formula: C41H48N3O6+ MolecularWeight: 678.83632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C(OC)OC)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(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C(OC)OC)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(C)C

InChI

InChI=1S/C41H47N3O6/c1-8-30-16-15-21-33(26-30)35-34(39(45)49-27(2)3)28(4)43-37(41(47-6)48-7)36(35)40(46)50-29(5)44(24-22-42-23-25-44)38(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h1,9-21,26-27,29,35,38,41-42H,22-25H2,2-7H3/p+1