2-chloranyl-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 2-chloranyl-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 2-chloro-N-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 2-chloro-N-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 2-chloro-N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: 2-chloro-N-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C18H21ClN3O2S+ MolecularWeight: 378.89624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H20ClN3O2S/c19-16-4-2-1-3-15(16)18(24)20-11-17(23)22-8-6-21(7-9-22)12-14-5-10-25-13-14/h1-5,10,13H,6-9,11-12H2,(H,20,24)/p+1