1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-2-oxidanylidene-1-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-2-oxidanylidene-1-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-2-oxo-1-phenyl-piperidin-1-ium-3-carboxamide CAS Name: 1-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-2-oxo-1-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-2-oxo-1-phenylpiperidin-1-ium-3-carboxamide Traditional Name: 1-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-2-keto-1-phenyl-piperidin-1-ium-3-carboxamide Formula: C25H26N5O2+ MolecularWeight: 428.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)[N+](C1)(CCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC(C(=O)[N+](C1)(CCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H25N5O2/c26-15-19-8-10-20(11-9-19)17-29-18-28-16-21(29)12-14-30(22-5-2-1-3-6-22)13-4-7-23(24(27)31)25(30)32/h1-3,5-6,8-11,16,18,23H,4,7,12-14,17H2,(H-,27,31)/p+1