N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(S2)CCCC3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC3=C(S2)CCCC3)C4=CC=CO4

InChI

InChI=1S/C20H26N2O2S/c23-20(19-13-15-7-2-3-9-18(15)25-19)21-14-16(17-8-6-12-24-17)22-10-4-1-5-11-22/h6,8,12-13,16H,1-5,7,9-11,14H2,(H,21,23)/p+1/t16-/m0/s1