ethanedioic acid; 3-methyl-1-(phenylmethyl)-3-thiophen-2-yl-pyrrolidine

Systemtic Name: ethanedioic acid; 3-methyl-1-(phenylmethyl)-3-thiophen-2-yl-pyrrolidine Openeye Name: 1-benzyl-3-methyl-3-(2-thienyl)pyrrolidine; oxalic acid CAS Name: 3-methyl-1-(phenylmethyl)-3-thiophen-2-ylpyrrolidine; oxalic acid IUPAC Name: 1-benzyl-3-methyl-3-thiophen-2-ylpyrrolidine; oxalic acid Traditional Name: 1-benzyl-3-methyl-3-(2-thienyl)pyrrolidine; oxalic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1)CC2=CC=CC=C2)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(CCN(C1)CC2=CC=CC=C2)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19NS.C2H2O4/c1-16(15-8-5-11-18-15)9-10-17(13-16)12-14-6-3-2-4-7-14;3-1(4)2(5)6/h2-8,11H,9-10,12-13H2,1H3;(H,3,4)(H,5,6)