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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-28-20-11-10-18(29(26,27)24-14-8-4-5-9-15-24)16-19(20)22-21(25)17-23-12-6-2-3-7-13-23/h10-11,16H,2-9,12-15,17H2,1H3,(H,22,25)/p+1