(2S)-N-[(1R)-1-phenylethyl]-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[(1R)-1-phenylethyl]-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[(1R)-1-phenylethyl]-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[(1R)-1-phenylethyl]-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(1R)-1-phenylethyl]-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[(1R)-1-phenylethyl]-2-piperidin-1-ium-1-yl-propionamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-13(15-9-5-3-6-10-15)17-16(19)14(2)18-11-7-4-8-12-18/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H,17,19)/p+1/t13-,14+/m1/s1