6,7-dimethoxy-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(4-isopropylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-isopropylbenzyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C25H32N4O3/c1-17(2)19-7-5-18(6-8-19)15-28-9-11-29(12-10-28)16-24-26-21-14-23(32-4)22(31-3)13-20(21)25(30)27-24/h5-8,13-14,17H,9-12,15-16H2,1-4H3,(H,26,27,30)/p+1