2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]-N-cyclohexyl-ethanamide Openeye Name: N-cyclohexyl-2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclohexyl-2-[4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclohexyl-2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26Cl2N3O2S+ MolecularWeight: 455.42104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H25Cl2N3O2S/c22-14-6-7-16-17(12-14)29-20(19(16)23)21(28)26-10-8-25(9-11-26)13-18(27)24-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,24,27)/p+1