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

Systemtic Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-methyl-3-phenyl-4-isoxazolyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[4-(2-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=CC=CS4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

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