N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide CAS Name: N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide Formula: C21H23N2OS+ MolecularWeight: 351.48512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2OS/c24-21(20-14-17-10-4-5-11-19(17)25-20)22-15-18(23-12-6-7-13-23)16-8-2-1-3-9-16/h1-5,8-11,14,18H,6-7,12-13,15H2,(H,22,24)/p+1/t18-/m0/s1