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

Systemtic Name: 2-[(4-ethoxyphenyl)-methylsulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-(4-ethoxy-N-methylsulfonyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(4-ethoxy-N-mesyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NN=C2CC[NH+](CC2)C)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NN=C2CC[NH+](CC2)C)S(=O)(=O)C

InChI

InChI=1S/C17H26N4O4S/c1-4-25-16-7-5-15(6-8-16)21(26(3,23)24)13-17(22)19-18-14-9-11-20(2)12-10-14/h5-8H,4,9-13H2,1-3H3,(H,19,22)/p+1