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

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-(o-tolylmethyl)ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-(2-methylbenzyl)ammonium Formula: C20H28N4O+2 MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]CC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH2+]CC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H26N4O/c1-16-6-3-4-7-18(16)14-21-15-19-8-5-9-22-20(19)24-12-10-23(11-13-24)17(2)25/h3-9,21H,10-15H2,1-2H3/p+2