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

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-p-phenetyl-propionamide Formula: C17H27N2O2+ MolecularWeight: 291.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-4-21-16-9-7-15(8-10-16)18-17(20)14(3)19-11-5-6-13(2)12-19/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)/p+1/t13-,14-/m0/s1