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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridin-1-ium-2-amine Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridin-1-ium-2-amine CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-pyridin-1-iumamine IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridin-1-ium-2-amine Traditional Name: [5-(4-piperonylpiperazino)pyridin-1-ium-2-yl]amine Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C[NH+]=C(C=C4)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C[NH+]=C(C=C4)N

InChI

InChI=1S/C17H20N4O2/c18-17-4-2-14(10-19-17)21-7-5-20(6-8-21)11-13-1-3-15-16(9-13)23-12-22-15/h1-4,9-10H,5-8,11-12H2,(H2,18,19)/p+1