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

Systemtic Name: methyl (4S)-6-azanyl-5-cyano-2-methyl-4-[4-(morpholin-4-ium-4-ylmethyl)thiophen-2-yl]-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-5-cyano-2-methyl-4-[4-(morpholin-4-ium-4-ylmethyl)-2-thienyl]-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-methyl-4-[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-[4-(morpholin-4-ium-4-ylmethyl)thiophen-2-yl]-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-methyl-4-[4-(morpholin-4-ium-4-ylmethyl)-2-thienyl]-4H-pyran-3-carboxylic acid methyl ester Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CS2)C[NH+]3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=CS2)C[NH+]3CCOCC3)C(=O)OC

InChI

InChI=1S/C18H21N3O4S/c1-11-15(18(22)23-2)16(13(8-19)17(20)25-11)14-7-12(10-26-14)9-21-3-5-24-6-4-21/h7,10,16H,3-6,9,20H2,1-2H3/p+1/t16-/m1/s1