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

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]benzothiophene-2-carboxamide Formula: C20H20ClN4O2S+ MolecularWeight: 415.9164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H19ClN4O2S/c21-18-15-3-1-2-4-16(15)28-19(18)20(27)23-13-17(26)25-11-9-24(10-12-25)14-5-7-22-8-6-14/h1-8H,9-13H2,(H,23,27)/p+1