(3-ethanoylphenyl)methyl-ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: (3-ethanoylphenyl)methyl-ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (3-acetylphenyl)methyl-ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (3-acetylphenyl)methyl-ethyl-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (3-acetylphenyl)methyl-ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (3-acetylbenzyl)-ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C26H38N2O+2 MolecularWeight: 394.59272

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CC[NH+](CC1)CCC2=CC=CC=C2C)CC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC[NH+](CC1CC[NH+](CC1)CCC2=CC=CC=C2C)CC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C26H36N2O/c1-4-27(20-24-9-7-11-26(18-24)22(3)29)19-23-12-15-28(16-13-23)17-14-25-10-6-5-8-21(25)2/h5-11,18,23H,4,12-17,19-20H2,1-3H3/p+2