1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)-N-methyl-piperidine-4-carboxamide

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)-N-methyl-piperidine-4-carboxamide Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)-N-methyl-piperidine-4-carboxamide CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1-ethyl-4-piperidin-1-iumyl)-N-methyl-4-piperidinecarboxamide IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)-N-methylpiperidine-4-carboxamide Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)-N-methyl-isonipecotamide Formula: C21H30ClF3N3O3S+ MolecularWeight: 496.99441

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCC(CC1)N(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H29ClF3N3O3S/c1-3-27-10-8-16(9-11-27)26(2)20(29)15-6-12-28(13-7-15)32(30,31)17-4-5-19(22)18(14-17)21(23,24)25/h4-5,14-16H,3,6-13H2,1-2H3/p+1