2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C21H20Cl2N3O2S+ MolecularWeight: 449.3734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19Cl2N3O2S/c22-15-6-2-3-7-16(15)24-18(27)13-25-9-11-26(12-10-25)21(28)20-19(23)14-5-1-4-8-17(14)29-20/h1-8H,9-13H2,(H,24,27)/p+1