(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-methyl-3-phenyl-4-isoxazolyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C20H21N3O2S/c1-15-18(19(21-25-15)17-5-3-2-4-6-17)20(24)23-10-8-22(9-11-23)13-16-7-12-26-14-16/h2-7,12,14H,8-11,13H2,1H3/p+1