1-methyl-4-(5-methyl-1,2-benzoxazol-3-yl)piperidin-1-ium-1-carbonitrile bromide

Systemtic Name: 1-methyl-4-(5-methyl-1,2-benzoxazol-3-yl)piperidin-1-ium-1-carbonitrile bromide Openeye Name: 1-methyl-4-(5-methyl-1,2-benzoxazol-3-yl)piperidin-1-ium-1-carbonitrile bromide CAS Name: 1-methyl-4-(5-methyl-1,2-benzoxazol-3-yl)-1-piperidin-1-iumcarbonitrile bromide IUPAC Name: 1-methyl-4-(5-methyl-1,2-benzoxazol-3-yl)piperidin-1-ium-1-carbonitrile bromide Traditional Name: 1-methyl-4-(5-methylindoxazen-3-yl)piperidin-1-ium-1-carbonitrile bromide Formula: C15H18BrN3O MolecularWeight: 336.22692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)ON=C2C3CC[N+](CC3)(C)C#N.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)ON=C2C3CC[N+](CC3)(C)C#N.[Br-]

InChI

InChI=1S/C15H18N3O.BrH/c1-11-3-4-14-13(9-11)15(17-19-14)12-5-7-18(2,10-16)8-6-12;/h3-4,9,12H,5-8H2,1-2H3;1H/q+1;/p-1