ethyl 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]acetate bromide CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-1-piperazin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[4-(1,3-benzoxazol-2-yl)-1-methylpiperazin-1-ium-1-yl]acetate bromide Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C16H22BrN3O3 MolecularWeight: 384.26818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N3O3.BrH/c1-3-21-15(20)12-19(2)10-8-18(9-11-19)16-17-13-6-4-5-7-14(13)22-16;/h4-7H,3,8-12H2,1-2H3;1H/q+1;/p-1