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

Systemtic Name: 4-chloranyl-N-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]benzamide Openeye Name: 4-chloro-N-[3-oxo-3-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]propyl]benzamide CAS Name: 4-chloro-N-[3-oxo-3-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]propyl]benzamide IUPAC Name: 4-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]benzamide Traditional Name: 4-chloro-N-[3-keto-3-[4-(3-thenyl)piperazin-4-ium-1-yl]propyl]benzamide Formula: C19H23ClN3O2S+ MolecularWeight: 392.92282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O2S/c20-17-3-1-16(2-4-17)19(25)21-7-5-18(24)23-10-8-22(9-11-23)13-15-6-12-26-14-15/h1-4,6,12,14H,5,7-11,13H2,(H,21,25)/p+1