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

Systemtic Name: 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C23H25ClN3O2S+ MolecularWeight: 442.9815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C

InChI

InChI=1S/C23H24ClN3O2S/c1-15-6-5-8-18(16(15)2)25-20(28)14-26-10-12-27(13-11-26)23(29)22-21(24)17-7-3-4-9-19(17)30-22/h3-9H,10-14H2,1-2H3,(H,25,28)/p+1