6,7-dimethoxy-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C23H27N3O3/c1-28-20-13-18-19(14-21(20)29-2)24-22(25-23(18)27)15-26-10-8-17(9-11-26)12-16-6-4-3-5-7-16/h3-7,13-14,17H,8-12,15H2,1-2H3,(H,24,25,27)/p+1