3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide

Systemtic Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Openeye Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide CAS Name: 3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(3-methoxyphenyl)propanamide IUPAC Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Traditional Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methoxyphenyl)propionamide Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)NC2=CC(=CC=C2)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-13-9-14(2)12-19(11-13)8-7-17(20)18-15-5-4-6-16(10-15)21-3/h4-6,10,13-14H,7-9,11-12H2,1-3H3,(H,18,20)/p+1/t13-,14-/m0/s1