6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Traditional Name: [6-(4-piperonylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]amine Formula: C17H22N4O2+2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=[NH+]C=C(C=C4)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=[NH+]C=C(C=C4)N

InChI

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