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

Systemtic Name: 1-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[1-(6-methoxy-3-pyridinyl)-2-pyrrolyl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]-4-phenyl-piperazin-1-ium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-26-21-10-9-19(16-22-21)25-11-5-8-20(25)17-23-12-14-24(15-13-23)18-6-3-2-4-7-18/h2-11,16H,12-15,17H2,1H3/p+1