1-(phenylmethyl)sulfonyl-1,3-bis(1-phenylpropyl)piperidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(phenylmethyl)sulfonyl-1,3-bis(1-phenylpropyl)piperidin-1-ium-2-carboxylic acid Openeye Name: 1-benzylsulfonyl-1,3-bis(1-phenylpropyl)piperidin-1-ium-2-carboxylic acid CAS Name: 1-(phenylmethyl)sulfonyl-1,3-bis(1-phenylpropyl)-2-piperidin-1-iumcarboxylic acid IUPAC Name: 1-benzylsulfonyl-1,3-bis(1-phenylpropyl)piperidin-1-ium-2-carboxylic acid Traditional Name: 1-benzylsulfonyl-1,3-bis(1-phenylpropyl)piperidin-1-ium-2-carboxylic acid Formula: C31H38NO4S+ MolecularWeight: 520.70272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCC[N+](C1C(=O)O)(C(CC)C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C1CCC[N+](C1C(=O)O)(C(CC)C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H37NO4S/c1-3-27(25-17-10-6-11-18-25)28-21-14-22-32(30(28)31(33)34,29(4-2)26-19-12-7-13-20-26)37(35,36)23-24-15-8-5-9-16-24/h5-13,15-20,27-30H,3-4,14,21-23H2,1-2H3/p+1