2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methoxy-quinoxaline

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methoxy-quinoxaline Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methoxy-quinoxaline CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-methoxyquinoxaline IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methoxyquinoxaline Traditional Name: 2-methoxy-3-(4-piperonylpiperazin-4-ium-1-yl)quinoxaline Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

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