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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(6-methyl-2-pyridinyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]-4-piperonyl-piperazin-1-ium Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=CC=C1)N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O2/c1-18-4-2-6-23(24-18)27-9-3-5-20(27)16-26-12-10-25(11-13-26)15-19-7-8-21-22(14-19)29-17-28-21/h2-9,14H,10-13,15-17H2,1H3/p+1