6,7-dimethoxy-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 3-[[4-[(4-isopropylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-quinazolin-4-one CAS Name: 6,7-dimethoxy-3-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 6,7-dimethoxy-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]quinazolin-4-one Traditional Name: 3-[[4-(4-isopropylbenzyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-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)CN3C=NC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CN3C=NC4=CC(=C(C=C4C3=O)OC)OC

InChI

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