(7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7R)-7-(3,4-dimethoxyphenyl)-2-(4-piperonylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Formula: C28H31N4O5+ MolecularWeight: 503.56954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2CC3=NC(=NC=C3C(=O)C2)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)OC

InChI

InChI=1S/C28H30N4O5/c1-34-24-6-4-19(14-26(24)35-2)20-12-22-21(23(33)13-20)15-29-28(30-22)32-9-7-31(8-10-32)16-18-3-5-25-27(11-18)37-17-36-25/h3-6,11,14-15,20H,7-10,12-13,16-17H2,1-2H3/p+1/t20-/m1/s1