2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitro-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitro-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-4-(methoxymethyl)-6-methyl-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C21H27N4O5+ MolecularWeight: 415.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC2=[NH+]C(=C(C(=C2C#N)COC)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC2=[NH+]C(=C(C(=C2C#N)COC)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C21H26N4O5/c1-5-29-18-8-7-15(11-19(18)30-6-2)9-10-23-21-16(12-22)17(13-28-4)20(25(26)27)14(3)24-21/h7-8,11H,5-6,9-10,13H2,1-4H3,(H,23,24)/p+1