1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azepan-1-ium

Systemtic Name: 1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azepan-1-ium Openeye Name: 1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]azepan-1-ium CAS Name: 1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]azepan-1-ium IUPAC Name: 1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azepan-1-ium Traditional Name: 1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]azepan-1-ium Formula: C16H22N3+ MolecularWeight: 256.36598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CN2C3=CN=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CN2C3=CN=CC=C3

InChI

InChI=1S/C16H21N3/c1-2-4-11-18(10-3-1)14-16-8-6-12-19(16)15-7-5-9-17-13-15/h5-9,12-13H,1-4,10-11,14H2/p+1