[2-(azepan-1-ylcarbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [2-(azepan-1-ylcarbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [2-(azepane-1-carbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(3-pyridylmethyl)ammonium CAS Name: [2-[1-azepanyl(oxo)methyl]-7-methyl-3-imidazo[1,2-a]pyridinyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [2-(azepane-1-carbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(3-pyridylmethyl)ammonium Formula: C22H28N5O+ MolecularWeight: 378.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)C[NH2+]CC3=CN=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)C[NH2+]CC3=CN=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H27N5O/c1-17-8-12-27-19(16-24-15-18-7-6-9-23-14-18)21(25-20(27)13-17)22(28)26-10-4-2-3-5-11-26/h6-9,12-14,24H,2-5,10-11,15-16H2,1H3/p+1