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

Systemtic Name: N2-(4-ethoxyphenyl)-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(4-ethoxyphenyl)-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-ethoxyphenyl)-6-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-ethoxyphenyl)-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]-p-phenetyl-amine Formula: C17H27N7O+2 MolecularWeight: 345.44258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CC[NH+](CC3)C

InChI

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