ethyl 5-azanyl-4-cyano-3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CC(CC(C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2C[C@@H](C[C@H](C2)C)C

InChI

InChI=1S/C16H23N3O2S/c1-4-21-16(20)14-13(12(6-17)15(18)22-14)9-19-7-10(2)5-11(3)8-19/h10-11H,4-5,7-9,18H2,1-3H3/p+1/t10-,11-/m1/s1