N-[3-(4-chlorophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-(4-chlorophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-(4-chlorobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-(4-chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[3-(4-chlorobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C22H26ClN2O2S+ MolecularWeight: 417.97204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN2O2S/c23-16-10-8-15(9-11-16)21(27)20-17-6-2-3-7-18(17)28-22(20)24-19(26)14-25-12-4-1-5-13-25/h8-11H,1-7,12-14H2,(H,24,26)/p+1