1-(1,3-benzodioxol-5-ylmethyl)-4-(1-methylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-methylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-methylpyridin-1-ium-2-yl)piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-methyl-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-methylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-(1-methylpyridin-1-ium-2-yl)-4-piperonyl-piperazine Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[N+]1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N3O2/c1-19-7-3-2-4-18(19)21-10-8-20(9-11-21)13-15-5-6-16-17(12-15)23-14-22-16/h2-7,12H,8-11,13-14H2,1H3/q+1