3-chloranyl-N-[2-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C20H24ClN4O3S+ MolecularWeight: 435.94756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H23ClN4O3S/c21-18-14-3-1-2-4-15(14)29-19(18)20(28)22-11-17(27)25-9-7-24(8-10-25)12-16(26)23-13-5-6-13/h1-4,13H,5-12H2,(H,22,28)(H,23,26)/p+1