(2S)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-methylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-methylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-(2-ethylanilino)-2-oxo-ethyl]-N-methyl-2-(4-methylpiperidin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-methyl-1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-methylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-(2-ethylanilino)-2-keto-ethyl]-N-methyl-2-(4-methylpiperidin-1-ium-1-yl)propionamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)[NH+]2CCC(CC2)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCC(CC2)C

InChI

InChI=1S/C20H31N3O2/c1-5-17-8-6-7-9-18(17)21-19(24)14-22(4)20(25)16(3)23-12-10-15(2)11-13-23/h6-9,15-16H,5,10-14H2,1-4H3,(H,21,24)/p+1/t16-/m0/s1