5,7-dimethyl-2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-1,3-benzoxazole iodide

Systemtic Name: 5,7-dimethyl-2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-1,3-benzoxazole iodide Openeye Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-5,7-dimethyl-1,3-benzoxazole iodide CAS Name: 5,7-dimethyl-2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1,3-benzoxazole iodide IUPAC Name: 5,7-dimethyl-2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzoxazole iodide Traditional Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-5,7-dimethyl-1,3-benzoxazole iodide Formula: C17H24IN3O MolecularWeight: 413.29643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)N3CC[N+](CC3)(C)CC=C)C.[I-]

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)N3CC[N+](CC3)(C)CC=C)C.[I-]

InChI

InChI=1S/C17H24N3O.HI/c1-5-8-20(4)9-6-19(7-10-20)17-18-15-12-13(2)11-14(3)16(15)21-17;/h5,11-12H,1,6-10H2,2-4H3;1H/q+1;/p-1