1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-(6-methyl-2-pyridinyl)-2-pyrrolyl]methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C22H27N4+ MolecularWeight: 347.47658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4/c1-19-7-5-11-22(23-19)26-12-6-10-21(26)18-25-15-13-24(14-16-25)17-20-8-3-2-4-9-20/h2-12H,13-18H2,1H3/p+1