N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-[2-(4-methylphenyl)ethyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]acetamide Formula: C23H30ClN2O3S+ MolecularWeight: 450.0139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C23H29ClN2O3S/c1-17-3-5-18(6-4-17)7-8-19-11-13-26(14-12-19)16-23(27)25-22-15-20(30(2,28)29)9-10-21(22)24/h3-6,9-10,15,19H,7-8,11-14,16H2,1-2H3,(H,25,27)/p+1