3-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(phenylmethyl)carbamoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(phenylmethyl)carbamoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[benzylcarbamoyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[oxo-[(phenylmethyl)amino]methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[benzylcarbamoyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzylcarbamoyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C25H33N4O4+ MolecularWeight: 453.55392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4/c1-28(2)11-8-12-29(25(31)26-16-18-9-6-5-7-10-18)17-20-13-19-14-22(32-3)23(33-4)15-21(19)27-24(20)30/h5-7,9-10,13-15H,8,11-12,16-17H2,1-4H3,(H,26,31)(H,27,30)/p+1