3-butoxypropyl-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azanium Openeye Name: 3-butoxypropyl-[[1-(m-tolyl)pyrrol-2-yl]methyl]ammonium CAS Name: 3-butoxypropyl-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azanium Traditional Name: 3-butoxypropyl-[[1-(m-tolyl)pyrrol-2-yl]methyl]ammonium Formula: C19H29N2O+ MolecularWeight: 301.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=CC=CN1C2=CC=CC(=C2)C

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC=CN1C2=CC=CC(=C2)C

InChI

InChI=1S/C19H28N2O/c1-3-4-13-22-14-7-11-20-16-19-10-6-12-21(19)18-9-5-8-17(2)15-18/h5-6,8-10,12,15,20H,3-4,7,11,13-14,16H2,1-2H3/p+1