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

Systemtic Name: 6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-s-triazin-2-yl]-(4-methoxyphenyl)amine Formula: C17H27N7O+2 MolecularWeight: 345.44258

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N

InChI

InChI=1S/C17H25N7O/c1-3-23-8-10-24(11-9-23)12-15-20-16(18)22-17(21-15)19-13-4-6-14(25-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H3,18,19,20,21,22)/p+2