N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-methyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

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