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

Systemtic Name: (4-acetamidophenyl)methyl-ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (4-acetamidophenyl)methyl-ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (4-acetamidophenyl)methyl-ethyl-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (4-acetamidobenzyl)-ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C26H39N3O+2 MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O/c1-4-28(19-23-9-11-26(12-10-23)27-22(3)30)20-24-13-16-29(17-14-24)18-15-25-8-6-5-7-21(25)2/h5-12,24H,4,13-20H2,1-3H3,(H,27,30)/p+2