(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-ethyl-5-methyl-isoxazol-4-yl)methanone CAS Name: (3-ethyl-5-methyl-4-isoxazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-ethyl-5-methyl-isoxazol-4-yl)methanone Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H23N3O2/c1-3-16-17(14(2)23-19-16)18(22)21-11-9-20(10-12-21)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3/p+1