1-[5-[(3R)-4-azanyl-3-methyl-4-oxidanyl-butyl]thiophen-2-yl]-4-phenyl-butan-1-one; ethanedioic acid

Systemtic Name: 1-[5-[(3R)-4-azanyl-3-methyl-4-oxidanyl-butyl]thiophen-2-yl]-4-phenyl-butan-1-one; ethanedioic acid Openeye Name: 1-[5-[(3R)-4-amino-4-hydroxy-3-methyl-butyl]-2-thienyl]-4-phenyl-butan-1-one; oxalic acid CAS Name: 1-[5-[(3R)-4-amino-4-hydroxy-3-methylbutyl]-2-thiophenyl]-4-phenyl-1-butanone; oxalic acid IUPAC Name: 1-[5-[(3R)-4-amino-4-hydroxy-3-methylbutyl]thiophen-2-yl]-4-phenylbutan-1-one; oxalic acid Traditional Name: 1-[5-[(3R)-4-amino-4-hydroxy-3-methyl-butyl]-2-thienyl]-4-phenyl-butan-1-one; oxalic acid Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCC2=CC=CC=C2)C(N)O.C(=O)(C(=O)O)O

Isomeric SMILES

C[C@H](CCC1=CC=C(S1)C(=O)CCCC2=CC=CC=C2)C(N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25NO2S.C2H2O4/c1-14(19(20)22)10-11-16-12-13-18(23-16)17(21)9-5-8-15-6-3-2-4-7-15;3-1(4)2(5)6/h2-4,6-7,12-14,19,22H,5,8-11,20H2,1H3;(H,3,4)(H,5,6)/t14-,19?;/m1./s1