2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-6-nitro-1,3-benzoxazole iodide

Systemtic Name: 2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-6-nitro-1,3-benzoxazole iodide Openeye Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-6-nitro-1,3-benzoxazole iodide CAS Name: 2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-6-nitro-1,3-benzoxazole iodide IUPAC Name: 2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-6-nitro-1,3-benzoxazole iodide Traditional Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-6-nitro-1,3-benzoxazole iodide Formula: C15H19IN4O3 MolecularWeight: 430.24083

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-])CC=C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-])CC=C.[I-]

InChI

InChI=1S/C15H19N4O3.HI/c1-3-8-19(2)9-6-17(7-10-19)15-16-13-5-4-12(18(20)21)11-14(13)22-15;/h3-5,11H,1,6-10H2,2H3;1H/q+1;/p-1