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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-methyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-17-10-14-22(15-11-17)16-20(24)21-18-6-8-19(9-7-18)27(25,26)23-12-4-2-3-5-13-23/h6-9,17H,2-5,10-16H2,1H3,(H,21,24)/p+1