4-imidazol-1-yl-N,N-diphenyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3,5-triazin-2-amine

Systemtic Name: 4-imidazol-1-yl-N,N-diphenyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3,5-triazin-2-amine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-imidazol-1-yl-N,N-diphenyl-1,3,5-triazin-2-amine CAS Name: 4-(1-imidazolyl)-N,N-diphenyl-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1,3,5-triazin-2-amine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-imidazol-1-yl-N,N-diphenyl-1,3,5-triazin-2-amine Traditional Name: [4-(4-benzylpiperazin-4-ium-1-yl)-6-imidazol-1-yl-s-triazin-2-yl]-diphenyl-amine Formula: C29H29N8+ MolecularWeight: 489.59416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=NC(=N3)N4C=CN=C4)N(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=NC(=N3)N4C=CN=C4)N(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H28N8/c1-4-10-24(11-5-1)22-34-18-20-35(21-19-34)27-31-28(36-17-16-30-23-36)33-29(32-27)37(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-17,23H,18-22H2/p+1