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

Systemtic Name: 1-butyl-4-methyl-4-phenyl-1-(phenylmethyl)sulfonyl-piperidin-1-ium-2-carboxylate Openeye Name: 1-benzylsulfonyl-1-butyl-4-methyl-4-phenyl-piperidin-1-ium-2-carboxylate CAS Name: 1-butyl-4-methyl-4-phenyl-1-(phenylmethyl)sulfonyl-2-piperidin-1-iumcarboxylate IUPAC Name: 1-benzylsulfonyl-1-butyl-4-methyl-4-phenylpiperidin-1-ium-2-carboxylate Traditional Name: 1-benzylsulfonyl-1-butyl-4-methyl-4-phenyl-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)CC3=CC=CC=C3

Isomeric SMILES

CCCC[N+]1(CCC(CC1C(=O)[O-])(C)C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H31NO4S/c1-3-4-16-25(30(28,29)19-20-11-7-5-8-12-20)17-15-24(2,18-22(25)23(26)27)21-13-9-6-10-14-21/h5-14,22H,3-4,15-19H2,1-2H3