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

Systemtic Name: 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C22H23ClN3O2S+ MolecularWeight: 428.95492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O2S/c1-15-6-8-16(9-7-15)24-19(27)14-25-10-12-26(13-11-25)22(28)21-20(23)17-4-2-3-5-18(17)29-21/h2-9H,10-14H2,1H3,(H,24,27)/p+1