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

Systemtic Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-N-phenyl-4-(phenylmethyl)piperazin-1-ium-1-carboxamide Openeye Name: 4-benzyl-1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-N-phenyl-piperazin-1-ium-1-carboxamide CAS Name: 1-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-N-phenyl-4-(phenylmethyl)-1-piperazin-1-iumcarboxamide IUPAC Name: 4-benzyl-1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-N-phenylpiperazin-1-ium-1-carboxamide Traditional Name: 4-benzyl-1-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-N-phenyl-piperazin-1-ium-1-carboxamide Formula: C31H33N6O+ MolecularWeight: 505.63332

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1CC2=CC=CC=C2)(CCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1C[N+](CCN1CC2=CC=CC=C2)(CCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C31H32N6O/c32-21-26-11-13-28(14-12-26)24-36-25-33-22-30(36)15-18-37(31(38)34-29-9-5-2-6-10-29)19-16-35(17-20-37)23-27-7-3-1-4-8-27/h1-14,22,25H,15-20,23-24H2/p+1