3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(phenylmethyl)carbamoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(phenylmethyl)carbamoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[benzylcarbamoyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[oxo-[(phenylmethyl)amino]methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[benzylcarbamoyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzylcarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCC[NH+](C)C)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCC[NH+](C)C)C(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C25H32N4O2/c1-18-13-19(2)22-15-21(24(30)27-23(22)14-18)17-29(12-8-11-28(3)4)25(31)26-16-20-9-6-5-7-10-20/h5-7,9-10,13-15H,8,11-12,16-17H2,1-4H3,(H,26,31)(H,27,30)/p+1