(2R)-1-azanyl-2-methyl-4-[5-(5-phenylpent-1-ynyl)thiophen-2-yl]butan-1-ol; ethanedioic acid

Systemtic Name: (2R)-1-azanyl-2-methyl-4-[5-(5-phenylpent-1-ynyl)thiophen-2-yl]butan-1-ol; ethanedioic acid Openeye Name: (2R)-1-amino-2-methyl-4-[5-(5-phenylpent-1-ynyl)-2-thienyl]butan-1-ol; oxalic acid CAS Name: (2R)-1-amino-2-methyl-4-[5-(5-phenylpent-1-ynyl)-2-thiophenyl]-1-butanol; oxalic acid IUPAC Name: (2R)-1-amino-2-methyl-4-[5-(5-phenylpent-1-ynyl)thiophen-2-yl]butan-1-ol; oxalic acid Traditional Name: (2R)-1-amino-2-methyl-4-[5-(5-phenylpent-1-ynyl)-2-thienyl]butan-1-ol; oxalic acid Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCCCC2=CC=CC=C2)C(N)O.C(=O)(C(=O)O)O

Isomeric SMILES

C[C@H](CCC1=CC=C(S1)C#CCCCC2=CC=CC=C2)C(N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NOS.C2H2O4/c1-16(20(21)22)12-13-19-15-14-18(23-19)11-7-3-6-10-17-8-4-2-5-9-17;3-1(4)2(5)6/h2,4-5,8-9,14-16,20,22H,3,6,10,12-13,21H2,1H3;(H,3,4)(H,5,6)/t16-,20?;/m1./s1