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

Systemtic Name: (5-ethanoylthiophen-3-yl)methyl-ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (5-acetyl-3-thienyl)methyl-ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (5-acetyl-3-thiophenyl)methyl-ethyl-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (5-acetylthiophen-3-yl)methyl-ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (5-acetyl-3-thienyl)methyl-ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C24H36N2OS+2 MolecularWeight: 400.62044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2OS/c1-4-25(17-22-15-24(20(3)27)28-18-22)16-21-9-12-26(13-10-21)14-11-23-8-6-5-7-19(23)2/h5-8,15,18,21H,4,9-14,16-17H2,1-3H3/p+2