6,7-dimethoxy-2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C24H29N3O4/c1-29-17-10-8-16(9-11-17)20-7-5-4-6-12-27(20)15-23-25-19-14-22(31-3)21(30-2)13-18(19)24(28)26-23/h8-11,13-14,20H,4-7,12,15H2,1-3H3,(H,25,26,28)/p+1/t20-/m1/s1