4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(1-methylsulfonylpiperidin-4-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(1-methylsulfonylpiperidin-4-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-(1-methylsulfonyl-4-piperidyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(1-methylsulfonyl-4-piperidinyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(1-methylsulfonylpiperidin-4-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2,3-dimethylanilino)-2-keto-ethyl]-N-(1-mesyl-4-piperidyl)piperazin-4-ium-1-carboxamide Formula: C21H34N5O4S+ MolecularWeight: 452.59076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NC3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NC3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C21H33N5O4S/c1-16-5-4-6-19(17(16)2)23-20(27)15-24-11-13-25(14-12-24)21(28)22-18-7-9-26(10-8-18)31(3,29)30/h4-6,18H,7-15H2,1-3H3,(H,22,28)(H,23,27)/p+1