[(3S)-3-azanyl-4-oxidanylidene-4-[(phenylmethyl)amino]butyl]-methylimino-oxidanidyl-azanium

Systemtic Name: [(3S)-3-azanyl-4-oxidanylidene-4-[(phenylmethyl)amino]butyl]-methylimino-oxidanidyl-azanium Openeye Name: [(3S)-3-amino-4-(benzylamino)-4-oxo-butyl]-methylimino-oxido-ammonium CAS Name: [(3S)-3-amino-4-oxo-4-[(phenylmethyl)amino]butyl]-methylimino-oxidoammonium IUPAC Name: [(3S)-3-amino-4-(benzylamino)-4-oxobutyl]-methylimino-oxidoazanium Traditional Name: [(3S)-3-amino-4-(benzylamino)-4-keto-butyl]-methylimino-oxido-ammonium Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CN=[N+](CCC(C(=O)NCC1=CC=CC=C1)N)[O-]

Isomeric SMILES

CN=[N+](CC[C@@H](C(=O)NCC1=CC=CC=C1)N)[O-]

InChI

InChI=1S/C12H18N4O2/c1-14-16(18)8-7-11(13)12(17)15-9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,15,17)/t11-/m0/s1