3-(3,4-dichlorophenyl)-N-[2-methyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide

Systemtic Name: 3-(3,4-dichlorophenyl)-N-[2-methyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: 3-(3,4-dichlorophenyl)-4-hydroxy-N-[2-methyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-oxo-1H-quinazoline-4-carboxamide CAS Name: 3-(3,4-dichlorophenyl)-4-hydroxy-N-[2-methyl-3-(4-methyl-1-piperidin-1-iumyl)propyl]-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: 3-(3,4-dichlorophenyl)-4-hydroxy-N-[2-methyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: 3-(3,4-dichlorophenyl)-4-hydroxy-2-keto-N-[2-methyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-1H-quinazoline-4-carboxamide Formula: C25H31Cl2N4O3+ MolecularWeight: 506.44464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C)CNC(=O)C2(C3=CC=CC=C3NC(=O)N2C4=CC(=C(C=C4)Cl)Cl)O

Isomeric SMILES

CC1CC[NH+](CC1)CC(C)CNC(=O)C2(C3=CC=CC=C3NC(=O)N2C4=CC(=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C25H30Cl2N4O3/c1-16-9-11-30(12-10-16)15-17(2)14-28-23(32)25(34)19-5-3-4-6-22(19)29-24(33)31(25)18-7-8-20(26)21(27)13-18/h3-8,13,16-17,34H,9-12,14-15H2,1-2H3,(H,28,32)(H,29,33)/p+1