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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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