2-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzamide

Systemtic Name: 2-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzamide Openeye Name: 2-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethoxy]benzamide CAS Name: 2-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethoxy]benzamide IUPAC Name: 2-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzamide Traditional Name: 2-[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethoxy]benzamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)COC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C18H21N3O3S/c19-18(23)15-5-1-2-6-16(15)24-13-17(22)21-9-7-20(8-10-21)12-14-4-3-11-25-14/h1-6,11H,7-10,12-13H2,(H2,19,23)/p+1