ethyl (4S)-6-azanyl-5-cyano-2-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-2-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-2-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-methyl-4-(1-methyl-3-pyridin-1-iumyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-2-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C16H18N3O3+ MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C[N+](=CC=C2)C)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=C[N+](=CC=C2)C)C#N)N)C

InChI

InChI=1S/C16H18N3O3/c1-4-21-16(20)13-10(2)22-15(18)12(8-17)14(13)11-6-5-7-19(3)9-11/h5-7,9,14H,4,18H2,1-3H3/q+1/t14-/m0/s1