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

Systemtic Name: [2-(azepan-1-ylcarbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(3-phenylpropyl)azanium Openeye Name: [2-(azepane-1-carbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(3-phenylpropyl)ammonium CAS Name: [2-[1-azepanyl(oxo)methyl]-7-methyl-3-imidazo[1,2-a]pyridinyl]methyl-(3-phenylpropyl)ammonium IUPAC Name: [2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl-(3-phenylpropyl)azanium Traditional Name: [2-(azepane-1-carbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(3-phenylpropyl)ammonium Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)C[NH2+]CCCC3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)C[NH2+]CCCC3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H32N4O/c1-20-13-17-29-22(19-26-14-9-12-21-10-5-4-6-11-21)24(27-23(29)18-20)25(30)28-15-7-2-3-8-16-28/h4-6,10-11,13,17-18,26H,2-3,7-9,12,14-16,19H2,1H3/p+1