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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-methoxy-quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-methoxy-quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-7-methoxyquinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-methoxyquinazoline Traditional Name: 7-methoxy-4-(4-piperonylpiperazin-4-ium-1-yl)quinazoline Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O3/c1-26-16-3-4-17-18(11-16)22-13-23-21(17)25-8-6-24(7-9-25)12-15-2-5-19-20(10-15)28-14-27-19/h2-5,10-11,13H,6-9,12,14H2,1H3/p+1