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

Systemtic Name: (2S)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[2-(2-ethylanilino)-2-oxo-ethyl]-N-methyl-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[2-(2-ethylanilino)-2-keto-ethyl]-N-methyl-2-piperidin-1-ium-1-yl-propionamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)[NH+]2CCCCC2

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCCCC2

InChI

InChI=1S/C19H29N3O2/c1-4-16-10-6-7-11-17(16)20-18(23)14-21(3)19(24)15(2)22-12-8-5-9-13-22/h6-7,10-11,15H,4-5,8-9,12-14H2,1-3H3,(H,20,23)/p+1/t15-/m0/s1