(3S)-1-[2-[(3-aminophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(3-aminophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(3-aminoanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(3-aminoanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(3-aminoanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(3-aminoanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C14H21N4O2+ MolecularWeight: 277.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=CC(=C2)N)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=CC(=C2)N)C(=O)N

InChI

InChI=1S/C14H20N4O2/c15-11-4-1-5-12(7-11)17-13(19)9-18-6-2-3-10(8-18)14(16)20/h1,4-5,7,10H,2-3,6,8-9,15H2,(H2,16,20)(H,17,19)/p+1/t10-/m0/s1