2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methylpiperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]acetonitrile Formula: C14H17N4O+ MolecularWeight: 257.31098

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)CC#N

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)CC#N

InChI

InChI=1S/C14H17N4O/c1-18(9-6-15)10-7-17(8-11-18)14-16-12-4-2-3-5-13(12)19-14/h2-5H,7-11H2,1H3/q+1