(1-ethanoylpiperidin-4-yl)-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: (1-ethanoylpiperidin-4-yl)-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Openeye Name: (1-acetyl-4-piperidyl)-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]ammonium CAS Name: (1-acetyl-4-piperidinyl)-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: (1-acetylpiperidin-4-yl)-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Traditional Name: (1-acetyl-4-piperidyl)-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]ammonium Formula: C24H35N5O+2 MolecularWeight: 409.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)C[NH2+]C4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)C[NH2+]C4CCN(CC4)C(=O)C

InChI

InChI=1S/C24H33N5O/c1-19-6-3-4-8-23(19)28-14-16-29(17-15-28)24-21(7-5-11-25-24)18-26-22-9-12-27(13-10-22)20(2)30/h3-8,11,22,26H,9-10,12-18H2,1-2H3/p+2