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

Systemtic Name: 2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-6-nitro-1,3-benzoxazole Openeye Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-6-nitro-1,3-benzoxazole CAS Name: 2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-6-nitro-1,3-benzoxazole IUPAC Name: 2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-6-nitro-1,3-benzoxazole Traditional Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-6-nitro-1,3-benzoxazole Formula: C15H19N4O3+ MolecularWeight: 303.33636

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N4O3/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/q+1