2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC2=C(C(=CC(=[NH+]2)C)COC)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC2=C(C(=CC(=[NH+]2)C)COC)C#N)OCC

InChI

InChI=1S/C21H27N3O3/c1-5-26-19-8-7-16(12-20(19)27-6-2)9-10-23-21-18(13-22)17(14-25-4)11-15(3)24-21/h7-8,11-12H,5-6,9-10,14H2,1-4H3,(H,23,24)/p+1