N2-(3-methoxyphenyl)-6-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(3-methoxyphenyl)-6-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N2-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(3-methoxyphenyl)-6-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-s-triazin-2-yl]-(3-methoxyphenyl)amine Formula: C22H29N7O+2 MolecularWeight: 407.51196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=N2)N)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=N2)N)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N7O/c1-30-19-9-5-8-18(14-19)24-22-26-20(25-21(23)27-22)16-29-12-10-28(11-13-29)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3,(H3,23,24,25,26,27)/p+2