5-(azepan-1-ylsulfonyl)-2-methoxy-N-(1-methylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S/c1-22-13-9-16(10-14-22)21-20(24)18-15-17(7-8-19(18)27-2)28(25,26)23-11-5-3-4-6-12-23/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,21,24)/p+1