1-butyl-4-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-piperidin-1-ium-2-carboxylate

Systemtic Name: 1-butyl-4-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-piperidin-1-ium-2-carboxylate Openeye Name: 1-butyl-4-methyl-4-phenyl-1-(p-tolylsulfonyl)piperidin-1-ium-2-carboxylate CAS Name: 1-butyl-4-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2-piperidin-1-iumcarboxylate IUPAC Name: 1-butyl-4-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-1-ium-2-carboxylate Traditional Name: 1-butyl-4-methyl-4-phenyl-1-tosyl-piperidin-1-ium-2-carboxylate Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC1C(=O)[O-])(C)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC[N+]1(CCC(CC1C(=O)[O-])(C)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H31NO4S/c1-4-5-16-25(30(28,29)21-13-11-19(2)12-14-21)17-15-24(3,18-22(25)23(26)27)20-9-7-6-8-10-20/h6-14,22H,4-5,15-18H2,1-3H3