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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-morpholin-4-ium-4-yl-acetamide Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C19H29N3O5S/c1-26-18-7-6-16(28(24,25)22-8-4-2-3-5-9-22)14-17(18)20-19(23)15-21-10-12-27-13-11-21/h6-7,14H,2-5,8-13,15H2,1H3,(H,20,23)/p+1