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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-27-19-10-9-17(28(25,26)23-13-7-2-3-8-14-23)15-18(19)21-20(24)16-22-11-5-4-6-12-22/h9-10,15H,2-8,11-14,16H2,1H3,(H,21,24)/p+1