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

Systemtic Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-phenyl-piperazin-1-ium-1-carboxamide Openeye Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-phenyl-piperazin-1-ium-1-carboxamide CAS Name: 1-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-4-phenyl-1-piperazin-1-iumcarboxamide IUPAC Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-phenylpiperazin-1-ium-1-carboxamide Traditional Name: 1-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-4-phenyl-piperazin-1-ium-1-carboxamide Formula: C24H27N6O+ MolecularWeight: 415.51078

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C2=CC=CC=C2)(CCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)N

Isomeric SMILES

C1C[N+](CCN1C2=CC=CC=C2)(CCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)N

InChI

InChI=1S/C24H26N6O/c25-16-20-6-8-21(9-7-20)18-29-19-27-17-23(29)10-13-30(24(26)31)14-11-28(12-15-30)22-4-2-1-3-5-22/h1-9,17,19H,10-15,18H2,(H-,26,31)/p+1