1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(6-methoxy-3-pyridinyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]-4-piperonyl-piperazin-1-ium Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=NC=C(C=C1)N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O3/c1-28-23-7-5-19(14-24-23)27-8-2-3-20(27)16-26-11-9-25(10-12-26)15-18-4-6-21-22(13-18)30-17-29-21/h2-8,13-14H,9-12,15-17H2,1H3/p+1