2-[2-(3,4-dimethoxyphenyl)ethylamino]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(homoveratrylamino)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)NCCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)NCCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C18H21N3O2/c1-12-9-13(2)21-18(15(12)11-19)20-8-7-14-5-6-16(22-3)17(10-14)23-4/h5-6,9-10H,7-8H2,1-4H3,(H,20,21)/p+1