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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)[NH+]3CCOCC3

InChI

InChI=1S/C21H33N3O4S/c1-21(2,23-12-14-28-15-13-23)17-22-20(25)18-8-7-9-19(16-18)29(26,27)24-10-5-3-4-6-11-24/h7-9,16H,3-6,10-15,17H2,1-2H3,(H,22,25)/p+1