methyl 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 2-(4-benzhydrylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carboxylate CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzhydrylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carboxylate Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carboxylic acid methyl ester Formula: C24H27N3O2+2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C([NH+]=CC=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C([NH+]=CC=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2/c1-29-24(28)21-13-8-14-25-23(21)27-17-15-26(16-18-27)22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,22H,15-18H2,1H3/p+2