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

Systemtic Name: 2-[(2,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-(2,4-dimethyl-N-methylsulfonyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(N-mesyl-2,4-dimethyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C17H27N4O3S+ MolecularWeight: 367.48628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)NN=C2CC[NH+](CC2)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)NN=C2CC[NH+](CC2)C)S(=O)(=O)C)C

InChI

InChI=1S/C17H26N4O3S/c1-13-5-6-16(14(2)11-13)21(25(4,23)24)12-17(22)19-18-15-7-9-20(3)10-8-15/h5-6,11H,7-10,12H2,1-4H3,(H,19,22)/p+1