1-(2,3-dimethylphenyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C22H27N4+ MolecularWeight: 347.47658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4/c1-18-6-3-9-22(19(18)2)25-14-12-24(13-15-25)17-21-8-5-11-26(21)20-7-4-10-23-16-20/h3-11,16H,12-15,17H2,1-2H3/p+1