(4-ethoxy-3-methoxy-phenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethoxy-3-methoxy-phenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-ethoxy-3-methoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethoxy-3-methoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethoxy-3-methoxy-phenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C21H25N4O4S+ MolecularWeight: 429.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4)OC

InChI

InChI=1S/C21H24N4O4S/c1-3-28-16-7-6-15(13-17(16)27-2)21(26)25-10-8-24(9-11-25)14-19-22-20(23-29-19)18-5-4-12-30-18/h4-7,12-13H,3,8-11,14H2,1-2H3/p+1