[(2S)-1-[[5-[(4-methylphenyl)methylamino]pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[5-[(4-methylphenyl)methylamino]pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-[[5-(p-tolylmethylamino)-2-pyridyl]amino]ethyl]ammonium CAS Name: [(2S)-1-[[5-[(4-methylphenyl)methylamino]-2-pyridinyl]amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[5-[(4-methylphenyl)methylamino]pyridin-2-yl]amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[5-[(4-methylbenzyl)amino]-2-pyridyl]amino]ethyl]ammonium Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=CN=C(C=C2)NC(=O)C(C)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=CN=C(C=C2)NC(=O)[C@H](C)[NH3+]

InChI

InChI=1S/C16H20N4O/c1-11-3-5-13(6-4-11)9-18-14-7-8-15(19-10-14)20-16(21)12(2)17/h3-8,10,12,18H,9,17H2,1-2H3,(H,19,20,21)/p+1/t12-/m0/s1