N2-(5-chloranyl-2-methoxy-phenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(5-chloranyl-2-methoxy-phenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(5-chloro-2-methoxy-phenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(5-chloro-2-methoxyphenyl)-6-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(5-chloro-2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-s-triazin-2-yl]-(5-chloro-2-methoxy-phenyl)amine Formula: C20H25ClN8O+2 MolecularWeight: 428.9185

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23ClN8O/c1-30-16-6-5-14(21)12-15(16)24-20-26-17(25-19(22)27-20)13-28-8-10-29(11-9-28)18-4-2-3-7-23-18/h2-7,12H,8-11,13H2,1H3,(H3,22,24,25,26,27)/p+2