[2-(azepan-1-ylcarbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(oxan-4-yl)azanium

Systemtic Name: [2-(azepan-1-ylcarbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(oxan-4-yl)azanium Openeye Name: [2-(azepane-1-carbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-tetrahydropyran-4-yl-ammonium CAS Name: [2-[1-azepanyl(oxo)methyl]-7-methyl-3-imidazo[1,2-a]pyridinyl]methyl-(4-oxanyl)ammonium IUPAC Name: [2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl-(oxan-4-yl)azanium Traditional Name: [2-(azepane-1-carbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-tetrahydropyran-4-yl-ammonium Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)C[NH2+]C3CCOCC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)C[NH2+]C3CCOCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H30N4O2/c1-16-6-11-25-18(15-22-17-7-12-27-13-8-17)20(23-19(25)14-16)21(26)24-9-4-2-3-5-10-24/h6,11,14,17,22H,2-5,7-10,12-13,15H2,1H3/p+1