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

Systemtic Name: N2-(2,4-dimethylphenyl)-6-[(4-phenethylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2,4-dimethylphenyl)-6-[(4-phenethylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2,4-dimethylphenyl)-6-[(4-phenethyl-1-piperazin-4-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2,4-dimethylphenyl)-6-[(4-phenethylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-phenethylpiperazin-4-ium-1-yl)methyl]-s-triazin-2-yl]-(2,4-dimethylphenyl)amine Formula: C24H32N7+ MolecularWeight: 418.55778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N)CN3CC[NH+](CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N)CN3CC[NH+](CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C24H31N7/c1-18-8-9-21(19(2)16-18)26-24-28-22(27-23(25)29-24)17-31-14-12-30(13-15-31)11-10-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3,(H3,25,26,27,28,29)/p+1