N2,N4-bis(4-methoxyphenyl)-6-piperazin-4-ium-1-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N2,N4-bis(4-methoxyphenyl)-6-piperazin-4-ium-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: N2,N4-bis(4-methoxyphenyl)-6-piperazin-4-ium-1-yl-1,3,5-triazine-2,4-diamine CAS Name: N2,N4-bis(4-methoxyphenyl)-6-(1-piperazin-4-iumyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N,4-N-bis(4-methoxyphenyl)-6-piperazin-4-ium-1-yl-1,3,5-triazine-2,4-diamine Traditional Name: (4-methoxyphenyl)-[4-(p-anisidino)-6-piperazin-4-ium-1-yl-s-triazin-2-yl]amine Formula: C21H26N7O2+ MolecularWeight: 408.47684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CC[NH2+]CC3)NC4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CC[NH2+]CC3)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N7O2/c1-29-17-7-3-15(4-8-17)23-19-25-20(24-16-5-9-18(30-2)10-6-16)27-21(26-19)28-13-11-22-12-14-28/h3-10,22H,11-14H2,1-2H3,(H2,23,24,25,26,27)/p+1