(3S)-1-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2/c1-3-13-6-8-15(9-7-13)19-17(22)12(2)20-10-4-5-14(11-20)16(18)21/h6-9,12,14H,3-5,10-11H2,1-2H3,(H2,18,21)(H,19,22)/p+1/t12-,14-/m0/s1