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

Systemtic Name: 3-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide Formula: C20H22ClN2O2S+ MolecularWeight: 389.91888

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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=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CO4

InChI

InChI=1S/C20H21ClN2O2S/c21-18-14-7-2-3-9-17(14)26-19(18)20(24)22-13-15(16-8-6-12-25-16)23-10-4-1-5-11-23/h2-3,6-9,12,15H,1,4-5,10-11,13H2,(H,22,24)/p+1/t15-/m0/s1