(1-methylpyridin-1-ium-2-yl)methyl (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)ethanoate

Systemtic Name: (1-methylpyridin-1-ium-2-yl)methyl (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)ethanoate Openeye Name: (1-methylpyridin-1-ium-2-yl)methyl (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetate CAS Name: (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetic acid (1-methyl-2-pyridin-1-iumyl)methyl ester IUPAC Name: (1-methylpyridin-1-ium-2-yl)methyl (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetate Traditional Name: (2Z)-2-nitro-2-(1,3-thiazinan-2-ylidene)acetic acid (1-methylpyridin-1-ium-2-yl)methyl ester Formula: C13H16N3O4S+ MolecularWeight: 310.34884

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1COC(=O)C(=C2NCCCS2)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1COC(=O)/C(=C/2\NCCCS2)/[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-15-7-3-2-5-10(15)9-20-13(17)11(16(18)19)12-14-6-4-8-21-12/h2-3,5,7H,4,6,8-9H2,1H3/p+1