(2R)-N-[4-methyl-2-(phenylcarbonyl)phenyl]-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2R)-N-[4-methyl-2-(phenylcarbonyl)phenyl]-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2R)-N-(2-benzoyl-4-methyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2R)-N-(2-benzoyl-4-methylphenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2R)-N-(2-benzoyl-4-methyl-phenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCCCC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H](C)[NH+]2CCCCC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2/c1-16-11-12-20(19(15-16)21(25)18-9-5-3-6-10-18)23-22(26)17(2)24-13-7-4-8-14-24/h3,5-6,9-12,15,17H,4,7-8,13-14H2,1-2H3,(H,23,26)/p+1/t17-/m1/s1