1-butyl-4-methyl-4-phenyl-1-(phenylsulfonyl)piperidin-1-ium-2-carboxylic acid

Systemtic Name: 1-butyl-4-methyl-4-phenyl-1-(phenylsulfonyl)piperidin-1-ium-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-1-butyl-4-methyl-4-phenyl-piperidin-1-ium-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-1-butyl-4-methyl-4-phenyl-2-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-1-butyl-4-methyl-4-phenylpiperidin-1-ium-2-carboxylic acid Traditional Name: 1-besyl-1-butyl-4-methyl-4-phenyl-piperidin-1-ium-2-carboxylic acid Formula: C23H30NO4S+ MolecularWeight: 416.5536

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-3-4-16-24(29(27,28)20-13-9-6-10-14-20)17-15-23(2,18-21(24)22(25)26)19-11-7-5-8-12-19/h5-14,21H,3-4,15-18H2,1-2H3/p+1