1-[(1-cyanoindolizin-2-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-cyanoindolizin-2-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-cyanoindolizin-2-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(1-cyano-2-indolizinyl)methyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-cyanoindolizin-2-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-cyanoindolizin-2-yl)methyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C22H22N4O2/c23-13-18-17(15-26-10-4-3-6-20(18)26)14-25-11-8-16(9-12-25)22(28)24-19-5-1-2-7-21(19)27/h1-7,10,15-16,27H,8-9,11-12,14H2,(H,24,28)/p+1