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

Systemtic Name: N2-(2-methoxyphenyl)-6-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-methoxyphenyl)-6-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methoxyphenyl)-6-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methoxyphenyl)-6-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-mesylpiperazin-1-ium-1-yl)methyl]-s-triazin-2-yl]-(2-methoxyphenyl)amine Formula: C16H24N7O3S+ MolecularWeight: 394.47186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H23N7O3S/c1-26-13-6-4-3-5-12(13)18-16-20-14(19-15(17)21-16)11-22-7-9-23(10-8-22)27(2,24)25/h3-6H,7-11H2,1-2H3,(H3,17,18,19,20,21)/p+1