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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzamide Openeye Name: 2-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethoxy]benzamide CAS Name: 2-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethoxy]benzamide IUPAC Name: 2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzamide Traditional Name: 2-[2-keto-2-[4-(3-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=CSC=C2)C(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)COC3=CC=CC=C3C(=O)N

InChI

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