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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(m-tolyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-[[1-(m-tolyl)pyrrol-2-yl]methyl]-4-piperonyl-piperazin-1-ium Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2/c1-19-4-2-5-21(14-19)27-9-3-6-22(27)17-26-12-10-25(11-13-26)16-20-7-8-23-24(15-20)29-18-28-23/h2-9,14-15H,10-13,16-18H2,1H3/p+1