1-(2,3-dimethylphenyl)-4-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[[1-(6-methyl-2-pyridinyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C23H29N4+ MolecularWeight: 361.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CN3C4=CC=CC(=N4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CN3C4=CC=CC(=N4)C)C

InChI

InChI=1S/C23H28N4/c1-18-7-4-10-22(20(18)3)26-15-13-25(14-16-26)17-21-9-6-12-27(21)23-11-5-8-19(2)24-23/h4-12H,13-17H2,1-3H3/p+1