(2S)-N-(2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-12-7-8-15(20-3)14(11-12)17-16(19)13(2)18-9-5-4-6-10-18/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,17,19)/p+1/t13-/m0/s1