1-[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H25N3O2/c1-11-4-5-12(2)15(10-11)19-17(22)13(3)20-8-6-14(7-9-20)16(18)21/h4-5,10,13-14H,6-9H2,1-3H3,(H2,18,21)(H,19,22)/p+1/t13-/m0/s1