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

Systemtic Name: N2-(3-methoxyphenyl)-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(3-methoxyphenyl)-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(3-methoxyphenyl)-6-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(3-methoxyphenyl)-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-s-triazin-2-yl]-(3-methoxyphenyl)amine Formula: C16H25N7O+2 MolecularWeight: 331.416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7O/c1-22-6-8-23(9-7-22)11-14-19-15(17)21-16(20-14)18-12-4-3-5-13(10-12)24-2/h3-5,10H,6-9,11H2,1-2H3,(H3,17,18,19,20,21)/p+2