2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one Traditional Name: 7,7-dimethyl-2-(4-piperonylpiperazin-4-ium-1-yl)-6,8-dihydroquinazolin-5-one Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=NC=C2C(=O)C1)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1(CC2=NC(=NC=C2C(=O)C1)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H26N4O3/c1-22(2)10-17-16(18(27)11-22)12-23-21(24-17)26-7-5-25(6-8-26)13-15-3-4-19-20(9-15)29-14-28-19/h3-4,9,12H,5-8,10-11,13-14H2,1-2H3/p+1