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

Systemtic Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-phenyl-piperidin-1-ium-3-carboxamide CAS Name: 1-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-1-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-phenylpiperidin-1-ium-3-carboxamide Traditional Name: 1-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-1-phenyl-piperidin-1-ium-3-carboxamide Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O/c26-15-20-8-10-21(11-9-20)17-29-19-28-16-23(29)12-14-30(24-6-2-1-3-7-24)13-4-5-22(18-30)25(27)31/h1-3,6-11,16,19,22H,4-5,12-14,17-18H2,(H-,27,31)/p+1