3-chloranyl-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide Formula: C22H24ClN2OS+ MolecularWeight: 399.95676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClN2OS/c23-20-17-11-5-6-12-19(17)27-21(20)22(26)24-15-18(16-9-3-1-4-10-16)25-13-7-2-8-14-25/h1,3-6,9-12,18H,2,7-8,13-15H2,(H,24,26)/p+1/t18-/m0/s1