3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C23H38N3O4S+ MolecularWeight: 452.63052

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H37N3O4S/c1-22(2)15-18(16-23(3,4)25-22)24-21(27)17-10-11-19(30-5)20(14-17)31(28,29)26-12-8-6-7-9-13-26/h10-11,14,18,25H,6-9,12-13,15-16H2,1-5H3,(H,24,27)/p+1