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

Systemtic Name: (2S)-N-(2,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,4-dimethylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-12-7-8-16(14(3)10-12)18-17(20)15(4)19-9-5-6-13(2)11-19/h7-8,10,13,15H,5-6,9,11H2,1-4H3,(H,18,20)/p+1/t13-,15-/m0/s1