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

Systemtic Name: 1-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]-4-phenyl-piperazin-1-ium Formula: C20H22ClN4+ MolecularWeight: 353.86848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=C(N=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=C(N=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H21ClN4/c21-20-19(9-4-10-22-20)25-11-5-8-18(25)16-23-12-14-24(15-13-23)17-6-2-1-3-7-17/h1-11H,12-16H2/p+1