ethanedioic acid; 3-[(9-ethylthioxanthen-9-yl)methyl]-1-methyl-piperidine

Systemtic Name: ethanedioic acid; 3-[(9-ethylthioxanthen-9-yl)methyl]-1-methyl-piperidine Openeye Name: 3-[(9-ethylthioxanthen-9-yl)methyl]-1-methyl-piperidine; oxalic acid CAS Name: 3-[(9-ethyl-9-thioxanthenyl)methyl]-1-methylpiperidine; oxalic acid IUPAC Name: 3-[(9-ethylthioxanthen-9-yl)methyl]-1-methylpiperidine; oxalic acid Traditional Name: 3-[(9-ethylthioxanthen-9-yl)methyl]-1-methyl-piperidine; oxalic acid Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2SC3=CC=CC=C31)CC4CCCN(C4)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1(C2=CC=CC=C2SC3=CC=CC=C31)CC4CCCN(C4)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27NS.C2H2O4/c1-3-22(15-17-9-8-14-23(2)16-17)18-10-4-6-12-20(18)24-21-13-7-5-11-19(21)22;3-1(4)2(5)6/h4-7,10-13,17H,3,8-9,14-16H2,1-2H3;(H,3,4)(H,5,6)