4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-quinazoline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6,7-dimethoxyquinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxyquinazoline Traditional Name: 6,7-dimethoxy-4-(4-piperonylpiperazin-4-ium-1-yl)quinazoline Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C22H24N4O4/c1-27-19-10-16-17(11-20(19)28-2)23-13-24-22(16)26-7-5-25(6-8-26)12-15-3-4-18-21(9-15)30-14-29-18/h3-4,9-11,13H,5-8,12,14H2,1-2H3/p+1