2-[1-methyl-2-[(1-methylpyrrol-3-yl)-[1-(phenylmethyl)piperidin-4-ylidene]methyl]imidazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-methyl-2-[(1-methylpyrrol-3-yl)-[1-(phenylmethyl)piperidin-4-ylidene]methyl]imidazol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[(1-benzyl-4-piperidylidene)-(1-methylpyrrol-3-yl)methyl]-1-methyl-imidazol-1-ium-1-yl]acetate CAS Name: 2-[1-methyl-2-[(1-methyl-3-pyrrolyl)-[1-(phenylmethyl)-4-piperidinylidene]methyl]-1-imidazol-1-iumyl]acetate IUPAC Name: 2-[2-[(1-benzylpiperidin-4-ylidene)-(1-methylpyrrol-3-yl)methyl]-1-methylimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-[(1-benzyl-4-piperidylidene)-(1-methylpyrrol-3-yl)methyl]-1-methyl-imidazol-1-ium-1-yl]acetate Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)C(=C2CCN(CC2)CC3=CC=CC=C3)C4=NC=C[N+]4(C)CC(=O)[O-]

Isomeric SMILES

CN1C=CC(=C1)C(=C2CCN(CC2)CC3=CC=CC=C3)C4=NC=C[N+]4(C)CC(=O)[O-]

InChI

InChI=1S/C24H28N4O2/c1-26-12-8-21(17-26)23(24-25-11-15-28(24,2)18-22(29)30)20-9-13-27(14-10-20)16-19-6-4-3-5-7-19/h3-8,11-12,15,17H,9-10,13-14,16,18H2,1-2H3