4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-2-phenyl-quinazoline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-2-phenyl-quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-2-phenyl-quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6,7-dimethoxy-2-phenylquinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-2-phenylquinazoline Traditional Name: 6,7-dimethoxy-2-phenyl-4-(4-piperonylpiperazin-4-ium-1-yl)quinazoline Formula: C28H29N4O4+ MolecularWeight: 485.55426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)OC

InChI

InChI=1S/C28H28N4O4/c1-33-24-15-21-22(16-25(24)34-2)29-27(20-6-4-3-5-7-20)30-28(21)32-12-10-31(11-13-32)17-19-8-9-23-26(14-19)36-18-35-23/h3-9,14-16H,10-13,17-18H2,1-2H3/p+1