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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-methoxyphenyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-piperonyl-piperazin-1-ium Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N3O3/c1-28-22-7-3-2-6-21(22)27-10-4-5-20(27)17-26-13-11-25(12-14-26)16-19-8-9-23-24(15-19)30-18-29-23/h2-10,15H,11-14,16-18H2,1H3/p+1