2-[(2-methoxyphenyl)-methylsulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(2-methoxyphenyl)-methylsulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(2-methoxy-N-methylsulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(N-mesyl-2-methoxy-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C16H25N4O4S+ MolecularWeight: 369.4591

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)CN(C2=CC=CC=C2OC)S(=O)(=O)C)CC1

InChI

InChI=1S/C16H24N4O4S/c1-19-10-8-13(9-11-19)17-18-16(21)12-20(25(3,22)23)14-6-4-5-7-15(14)24-2/h4-7H,8-12H2,1-3H3,(H,18,21)/p+1