2-[[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]quinazolin-4-amine

Systemtic Name: 2-[[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]quinazolin-4-amine Openeye Name: 2-[[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]quinazolin-4-amine CAS Name: 2-[[4-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]quinazolin-4-amine Traditional Name: [2-[[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]quinazolin-4-yl]amine Formula: C23H26N7+ MolecularWeight: 400.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C23H25N7/c24-23-20-8-4-5-9-21(20)26-22(27-23)17-29-12-10-28(11-13-29)15-18-14-25-30(16-18)19-6-2-1-3-7-19/h1-9,14,16H,10-13,15,17H2,(H2,24,26,27)/p+1