3-(2-chlorophenyl)sulfanyl-N-(2-diethylaminoethyl)pyrrolidine-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-(2-chlorophenyl)sulfanyl-N-(2-diethylaminoethyl)pyrrolidine-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-(2-chlorophenyl)sulfanyl-N-(2-diethylaminoethyl)pyrrolidine-1-carboxamide citrate CAS Name: 3-[(2-chlorophenyl)thio]-N-(2-diethylaminoethyl)-1-pyrrolidinecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-(2-chlorophenyl)sulfanyl-N-(2-diethylaminoethyl)pyrrolidine-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-[(2-chlorophenyl)thio]-N-(2-diethylaminoethyl)pyrrolidine-1-carboxamide citrate Formula: C23H31ClN3O8S-3 MolecularWeight: 545.02554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N1CCC(C1)SC2=CC=CC=C2Cl.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCNC(=O)N1CCC(C1)SC2=CC=CC=C2Cl.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C17H26ClN3OS.C6H8O7/c1-3-20(4-2)12-10-19-17(22)21-11-9-14(13-21)23-16-8-6-5-7-15(16)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-8,14H,3-4,9-13H2,1-2H3,(H,19,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3