(3-ethanoylphenyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (3-ethanoylphenyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (3-acetylphenyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (3-acetylphenyl)methyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3-acetylphenyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (3-acetylbenzyl)-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

InChI

InChI=1S/C24H33N3O2/c1-20(28)24-5-3-4-23(16-24)19-27(17-21-6-10-25-11-7-21)18-22-8-12-26(13-9-22)14-15-29-2/h3-7,10-11,16,22H,8-9,12-15,17-19H2,1-2H3/p+2