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

Systemtic Name: 1-[(2S)-1-[(4-aminophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(4-aminoanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(4-aminoanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(4-aminoanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(4-aminoanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C15H23N4O2+ MolecularWeight: 291.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C15H22N4O2/c1-10(19-8-6-11(7-9-19)14(17)20)15(21)18-13-4-2-12(16)3-5-13/h2-5,10-11H,6-9,16H2,1H3,(H2,17,20)(H,18,21)/p+1/t10-/m0/s1