1-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-(6-methoxy-3-pyridinyl)-2-pyrrolyl]methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O/c1-27-22-10-9-20(16-23-22)26-11-5-8-21(26)18-25-14-12-24(13-15-25)17-19-6-3-2-4-7-19/h2-11,16H,12-15,17-18H2,1H3/p+1