2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethyl-dimethyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: 2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethyl-dimethyl-[(4-nitrophenyl)methyl]azanium Openeye Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]ethyl-dimethyl-[(4-nitrophenyl)methyl]ammonium CAS Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]ethyl-dimethyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylethyl-dimethyl-[(4-nitrophenyl)methyl]azanium Traditional Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]ethyl-dimethyl-(4-nitrobenzyl)ammonium Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC[N+](C)(C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC[N+](C)(C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H25N4O3S/c1-15-11-17(14-27-4)19(12-21)20(22-15)28-10-9-24(2,3)13-16-5-7-18(8-6-16)23(25)26/h5-8,11H,9-10,13-14H2,1-4H3/q+1