(3-ethanoylphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (3-ethanoylphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (3-acetylphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (3-acetylphenyl)methyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3-acetylphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (3-acetylbenzyl)-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]-(4-pyridylmethyl)ammonium Formula: C27H40N4O+2 MolecularWeight: 436.6327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+](CC2CCN(CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+](CC2CCN(CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

InChI

InChI=1S/C27H38N4O/c1-22(32)26-5-3-4-25(18-26)21-30(19-23-6-12-28-13-7-23)20-24-8-16-31(17-9-24)27-10-14-29(2)15-11-27/h3-7,12-13,18,24,27H,8-11,14-17,19-21H2,1-2H3/p+2