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

Systemtic Name: 4-ethoxy-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 4-ethoxy-N-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 4-ethoxy-N-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 4-ethoxy-N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: 4-ethoxy-N-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C20H25N3O3S/c1-2-26-18-5-3-17(4-6-18)20(25)21-13-19(24)23-10-8-22(9-11-23)14-16-7-12-27-15-16/h3-7,12,15H,2,8-11,13-14H2,1H3,(H,21,25)/p+1