methyl (4S)-6-azanyl-5-cyano-2-methyl-4-[5-methyl-4-(morpholin-4-ium-4-ylmethyl)thiophen-2-yl]-4H-pyran-3-carboxylate

Systemtic Name: methyl (4S)-6-azanyl-5-cyano-2-methyl-4-[5-methyl-4-(morpholin-4-ium-4-ylmethyl)thiophen-2-yl]-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-5-cyano-2-methyl-4-[5-methyl-4-(morpholin-4-ium-4-ylmethyl)-2-thienyl]-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-methyl-4-[5-methyl-4-(4-morpholin-4-iumylmethyl)-2-thiophenyl]-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-5-cyano-2-methyl-4-[5-methyl-4-(morpholin-4-ium-4-ylmethyl)thiophen-2-yl]-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-methyl-4-[5-methyl-4-(morpholin-4-ium-4-ylmethyl)-2-thienyl]-4H-pyran-3-carboxylic acid methyl ester Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(S2)C)C[NH+]3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=C(S2)C)C[NH+]3CCOCC3)C(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-11-16(19(23)24-3)17(14(9-20)18(21)26-11)15-8-13(12(2)27-15)10-22-4-6-25-7-5-22/h8,17H,4-7,10,21H2,1-3H3/p+1/t17-/m1/s1