(2S)-N-(2,6-dimethylphenyl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-12-8-7-9-13(2)15(12)17-16(19)14(3)18-10-5-4-6-11-18/h7-9,14H,4-6,10-11H2,1-3H3,(H,17,19)/p+1/t14-/m0/s1