N2-phenyl-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-phenyl-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-phenyl-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-phenyl-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-s-triazin-2-yl]-phenyl-amine Formula: C20H24N7+ MolecularWeight: 362.45146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C20H23N7/c21-19-23-18(24-20(25-19)22-16-7-3-1-4-8-16)15-26-11-13-27(14-12-26)17-9-5-2-6-10-17/h1-10H,11-15H2,(H3,21,22,23,24,25)/p+1