(2S)-N-(2,6-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,6-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=CC=C2C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C17H26N2O/c1-12-7-6-10-19(11-12)15(4)17(20)18-16-13(2)8-5-9-14(16)3/h5,8-9,12,15H,6-7,10-11H2,1-4H3,(H,18,20)/p+1/t12-,15-/m0/s1