N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-thiophene-2-carboxamide; ethanoic acid

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-thiophene-2-carboxamide; ethanoic acid Openeye Name: acetic acid; 5-phenyl-N-[(3S)-quinuclidin-3-yl]thiophene-2-carboxamide CAS Name: acetic acid; N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-2-thiophenecarboxamide IUPAC Name: acetic acid; N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-carboxamide Traditional Name: acetic acid; 5-phenyl-N-[(3S)-quinuclidin-3-yl]thiophene-2-carboxamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CN2CCC1C(C2)NC(=O)C3=CC=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)O.C1CN2CCC1[C@@H](C2)NC(=O)C3=CC=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C18H20N2OS.C2H4O2/c21-18(19-15-12-20-10-8-13(15)9-11-20)17-7-6-16(22-17)14-4-2-1-3-5-14;1-2(3)4/h1-7,13,15H,8-12H2,(H,19,21);1H3,(H,3,4)/t15-;/m1./s1