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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 2-(4-piperonylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC(=NC=C2C(=O)C1)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=NC(=NC=C2C(=O)C1)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H22N4O3/c25-17-3-1-2-16-15(17)11-21-20(22-16)24-8-6-23(7-9-24)12-14-4-5-18-19(10-14)27-13-26-18/h4-5,10-11H,1-3,6-9,12-13H2/p+1