3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)benzamide Formula: C22H35ClN3O3S+ MolecularWeight: 457.0496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2)[NH+]3CCCCC3

InChI

InChI=1S/C22H34ClN3O3S/c1-22(2,25-12-6-5-7-13-25)17-24-21(27)18-10-11-19(23)20(16-18)30(28,29)26-14-8-3-4-9-15-26/h10-11,16H,3-9,12-15,17H2,1-2H3,(H,24,27)/p+1