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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCCC(C2)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC[C@@H](C2)C

InChI

InChI=1S/C17H26N2O/c1-4-15-7-9-16(10-8-15)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