4-methyl-1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium

Systemtic Name: 4-methyl-1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium Openeye Name: 4-methyl-1-[[1-(m-tolyl)pyrrol-2-yl]methyl]piperidin-1-ium CAS Name: 4-methyl-1-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]piperidin-1-ium IUPAC Name: 4-methyl-1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium Traditional Name: 4-methyl-1-[[1-(m-tolyl)pyrrol-2-yl]methyl]piperidin-1-ium Formula: C18H25N2+ MolecularWeight: 269.4045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=CN2C3=CC=CC(=C3)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=CN2C3=CC=CC(=C3)C

InChI

InChI=1S/C18H24N2/c1-15-8-11-19(12-9-15)14-18-7-4-10-20(18)17-6-3-5-16(2)13-17/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3/p+1