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

Systemtic Name: 4-methyl-2-(1-methyl-1-prop-2-enyl-piperazin-1-ium-2-yl)-1,3-benzoxazole bromide Openeye Name: 2-(1-allyl-1-methyl-piperazin-1-ium-2-yl)-4-methyl-1,3-benzoxazole bromide CAS Name: 4-methyl-2-(1-methyl-1-prop-2-enyl-2-piperazin-1-iumyl)-1,3-benzoxazole bromide IUPAC Name: 4-methyl-2-(1-methyl-1-prop-2-enylpiperazin-1-ium-2-yl)-1,3-benzoxazole bromide Traditional Name: 2-(1-allyl-1-methyl-piperazin-1-ium-2-yl)-4-methyl-1,3-benzoxazole bromide Formula: C16H22BrN3O MolecularWeight: 352.26938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)C3CNCC[N+]3(C)CC=C.[Br-]

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)C3CNCC[N+]3(C)CC=C.[Br-]

InChI

InChI=1S/C16H22N3O.BrH/c1-4-9-19(3)10-8-17-11-13(19)16-18-15-12(2)6-5-7-14(15)20-16;/h4-7,13,17H,1,8-11H2,2-3H3;1H/q+1;/p-1