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

Systemtic Name: [2-(azepan-1-ylcarbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [2-(azepane-1-carbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [2-[1-azepanyl(oxo)methyl]-7-methyl-3-imidazo[1,2-a]pyridinyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [2-(azepane-1-carbonyl)-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl-[3-(methylthio)propyl]ammonium Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)C[NH2+]CCCSC)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)C[NH2+]CCCSC)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N4OS/c1-16-8-12-24-17(15-21-9-7-13-26-2)19(22-18(24)14-16)20(25)23-10-5-3-4-6-11-23/h8,12,14,21H,3-7,9-11,13,15H2,1-2H3/p+1