(2S)-N-(4-ethanoylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-ethanoylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C17H24N2O2/c1-12-5-4-10-19(11-12)13(2)17(21)18-16-8-6-15(7-9-16)14(3)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,21)/p+1/t12-,13-/m0/s1