N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(methylsulfonylamino)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(methylsulfonylamino)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-ium-1-yl]acetamide Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)C[NH+]2CCC(CC2)NS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)C[NH+]2CCC(CC2)NS(=O)(=O)C)C

InChI

InChI=1S/C19H28N4O3S/c1-15-11-16(2)13-18(12-15)23(8-4-7-20)19(24)14-22-9-5-17(6-10-22)21-27(3,25)26/h11-13,17,21H,4-6,8-10,14H2,1-3H3/p+1