(2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide

Systemtic Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide Openeye Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide CAS Name: (2R)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide Traditional Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-p-phenetyl-propionamide Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CC(CC(C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@@H](C)[NH+]2C[C@H](C[C@@H](C2)C)C

InChI

InChI=1S/C18H28N2O2/c1-5-22-17-8-6-16(7-9-17)19-18(21)15(4)20-11-13(2)10-14(3)12-20/h6-9,13-15H,5,10-12H2,1-4H3,(H,19,21)/p+1/t13-,14-,15+/m0/s1