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

Systemtic Name: 1-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[[1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C22H26ClN4+ MolecularWeight: 381.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CN3C4=C(N=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CN3C4=C(N=CC=C4)Cl)C

InChI

InChI=1S/C22H25ClN4/c1-17-6-3-8-20(18(17)2)26-14-12-25(13-15-26)16-19-7-5-11-27(19)21-9-4-10-24-22(21)23/h3-11H,12-16H2,1-2H3/p+1