ethyl (E)-2-cyano-3-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]amino]prop-2-enoate CAS Name: (E)-2-cyano-3-[[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]amino]acrylic acid ethyl ester Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=CS1)C[NH+]2CCCCC2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC(=CS1)C[NH+]2CCCCC2)/C#N

InChI

InChI=1S/C15H20N4O2S/c1-2-21-14(20)12(8-16)9-17-15-18-13(11-22-15)10-19-6-4-3-5-7-19/h9,11H,2-7,10H2,1H3,(H,17,18)/p+1/b12-9+