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

Systemtic Name: 6-bromanyl-3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: 6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-2-oxo-1H-quinazoline-4-carboxamide CAS Name: 6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-N-[3-(3-methyl-1-piperidin-1-iumyl)propyl]-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: 6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-keto-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-1H-quinazoline-4-carboxamide Formula: C26H34BrN4O3+ MolecularWeight: 530.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCNC(=O)C2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=CC(=C(C=C4)C)C)O

Isomeric SMILES

CC1CCC[NH+](C1)CCCNC(=O)C2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=CC(=C(C=C4)C)C)O

InChI

InChI=1S/C26H33BrN4O3/c1-17-6-4-12-30(16-17)13-5-11-28-24(32)26(34)22-15-20(27)8-10-23(22)29-25(33)31(26)21-9-7-18(2)19(3)14-21/h7-10,14-15,17,34H,4-6,11-13,16H2,1-3H3,(H,28,32)(H,29,33)/p+1