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

Systemtic Name: N2-(2,5-dimethylphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2,5-dimethylphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2,5-dimethylphenyl)-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2,5-dimethylphenyl)-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]-(2,5-dimethylphenyl)amine Formula: C22H28N7+ MolecularWeight: 390.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N7/c1-16-8-9-17(2)19(14-16)24-22-26-20(25-21(23)27-22)15-28-10-12-29(13-11-28)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H3,23,24,25,26,27)/p+1