(3-ethanoylphenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium

Systemtic Name: (3-ethanoylphenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium Openeye Name: (3-acetylphenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: (3-acetylphenyl)methyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-phenethylammonium IUPAC Name: (3-acetylphenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethylazanium Traditional Name: (3-acetylbenzyl)-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C24H34N2O+2 MolecularWeight: 366.53956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

InChI

InChI=1S/C24H32N2O/c1-20(27)24-10-6-9-23(17-24)19-26(16-13-21-7-4-3-5-8-21)18-22-11-14-25(2)15-12-22/h3-10,17,22H,11-16,18-19H2,1-2H3/p+2