3-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl-methyl-amino]propanenitrile

Systemtic Name: 3-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl-methyl-amino]propanenitrile Openeye Name: 3-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl-methyl-amino]propanenitrile CAS Name: 3-[(4-methoxy-3,5-dimethyl-2-pyridin-1-iumyl)methyl-methylamino]propanenitrile IUPAC Name: 3-[(4-methoxy-3,5-dimethylpyridin-1-ium-2-yl)methyl-methylamino]propanenitrile Traditional Name: 3-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl-methyl-amino]propionitrile Formula: C13H20N3O+ MolecularWeight: 234.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C(=C1OC)C)CN(C)CCC#N

Isomeric SMILES

CC1=C[NH+]=C(C(=C1OC)C)CN(C)CCC#N

InChI

InChI=1S/C13H19N3O/c1-10-8-15-12(11(2)13(10)17-4)9-16(3)7-5-6-14/h8H,5,7,9H2,1-4H3/p+1