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

Systemtic Name: 2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: N-cyclopropyl-2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H20Cl2N3O2S+ MolecularWeight: 413.3413

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3O2S/c19-11-1-4-13-14(9-11)26-17(16(13)20)18(25)23-7-5-22(6-8-23)10-15(24)21-12-2-3-12/h1,4,9,12H,2-3,5-8,10H2,(H,21,24)/p+1