5-chloranyl-2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-1,3-benzoxazol-6-amine bromide

Systemtic Name: 5-chloranyl-2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-1,3-benzoxazol-6-amine bromide Openeye Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-5-chloro-1,3-benzoxazol-6-amine bromide CAS Name: 5-chloro-2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1,3-benzoxazol-6-amine bromide IUPAC Name: 5-chloro-2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzoxazol-6-amine bromide Traditional Name: [2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-5-chloro-1,3-benzoxazol-6-yl]amine bromide Formula: C15H20BrClN4O MolecularWeight: 387.7025

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=CC(=C(C=C3O2)N)Cl)CC=C.[Br-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=CC(=C(C=C3O2)N)Cl)CC=C.[Br-]

InChI

InChI=1S/C15H20ClN4O.BrH/c1-3-6-20(2)7-4-19(5-8-20)15-18-13-9-11(16)12(17)10-14(13)21-15;/h3,9-10H,1,4-8,17H2,2H3;1H/q+1;/p-1