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

Systemtic Name: [2-(azepan-1-ylcarbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [2-(azepane-1-carbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [2-[1-azepanyl(oxo)methyl]-7-methyl-3-imidazo[1,2-a]pyridinyl]methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [2-(azepane-1-carbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(3-pyrazol-1-ylpropyl)ammonium Formula: C22H31N6O+ MolecularWeight: 395.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)C[NH2+]CCCN3C=CC=N3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)C[NH2+]CCCN3C=CC=N3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H30N6O/c1-18-8-15-28-19(17-23-9-6-13-27-14-7-10-24-27)21(25-20(28)16-18)22(29)26-11-4-2-3-5-12-26/h7-8,10,14-16,23H,2-6,9,11-13,17H2,1H3/p+1