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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Traditional Name: 2-(4-piperonylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydro-1H-quinazolin-4-one Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H24N4O3/c25-19-15-3-1-2-4-16(15)21-20(22-19)24-9-7-23(8-10-24)12-14-5-6-17-18(11-14)27-13-26-17/h5-6,11H,1-4,7-10,12-13H2,(H,21,22,25)/p+1