ethanedioic acid; N-methyl-N-(3-phenylpropyl)-1-thiophen-2-yl-cyclohexan-1-amine

Systemtic Name: ethanedioic acid; N-methyl-N-(3-phenylpropyl)-1-thiophen-2-yl-cyclohexan-1-amine Openeye Name: N-methyl-N-(3-phenylpropyl)-1-(2-thienyl)cyclohexanamine; oxalic acid CAS Name: N-methyl-N-(3-phenylpropyl)-1-thiophen-2-yl-1-cyclohexanamine; oxalic acid IUPAC Name: N-methyl-N-(3-phenylpropyl)-1-thiophen-2-ylcyclohexan-1-amine; oxalic acid Traditional Name: methyl-(3-phenylpropyl)-[1-(2-thienyl)cyclohexyl]amine; oxalic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)C2(CCCCC2)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCCC1=CC=CC=C1)C2(CCCCC2)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27NS.C2H2O4/c1-21(16-8-12-18-10-4-2-5-11-18)20(14-6-3-7-15-20)19-13-9-17-22-19;3-1(4)2(5)6/h2,4-5,9-11,13,17H,3,6-8,12,14-16H2,1H3;(H,3,4)(H,5,6)