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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[[1-(6-methoxy-3-pyridinyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O/c1-18-6-4-8-22(19(18)2)26-14-12-25(13-15-26)17-21-7-5-11-27(21)20-9-10-23(28-3)24-16-20/h4-11,16H,12-15,17H2,1-3H3/p+1