2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[anilino(oxo)methyl]-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]ammonium Formula: C25H33N4O4+ MolecularWeight: 453.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4/c1-5-28(6-2)12-13-29(25(31)26-20-10-8-7-9-11-20)17-19-14-18-15-22(32-3)23(33-4)16-21(18)27-24(19)30/h7-11,14-16H,5-6,12-13,17H2,1-4H3,(H,26,31)(H,27,30)/p+1