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

Systemtic Name: (3S)-1-[3-[(2-aminophenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[3-(2-aminoanilino)-3-oxo-propyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[3-(2-aminoanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[3-(2-aminoanilino)-3-oxopropyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[3-(2-aminoanilino)-3-keto-propyl]piperidin-1-ium-3-carboxamide Formula: C15H23N4O2+ MolecularWeight: 291.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC(=O)NC2=CC=CC=C2N)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC(=O)NC2=CC=CC=C2N)C(=O)N

InChI

InChI=1S/C15H22N4O2/c16-12-5-1-2-6-13(12)18-14(20)7-9-19-8-3-4-11(10-19)15(17)21/h1-2,5-6,11H,3-4,7-10,16H2,(H2,17,21)(H,18,20)/p+1/t11-/m0/s1