dimethyl-[(2R)-2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2R)-2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2R)-2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2R)-2-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2R)-2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]-2-phenylethyl]azanium Traditional Name: [(2R)-2-[(1-keto-2H-isoquinoline-3-carbonyl)amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[NH+](C)C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H21N3O2/c1-23(2)13-18(14-8-4-3-5-9-14)22-20(25)17-12-15-10-6-7-11-16(15)19(24)21-17/h3-12,18H,13H2,1-2H3,(H,21,24)(H,22,25)/p+1/t18-/m0/s1