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

Systemtic Name: N2-(3-chloranyl-2-methyl-phenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(3-chloro-2-methyl-phenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(3-chloro-2-methylphenyl)-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(3-chloro-2-methylphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-s-triazin-2-yl]-(3-chloro-2-methyl-phenyl)amine Formula: C21H25ClN7+ MolecularWeight: 410.9231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24ClN7/c1-15-17(22)8-5-9-18(15)24-21-26-19(25-20(23)27-21)14-28-10-12-29(13-11-28)16-6-3-2-4-7-16/h2-9H,10-14H2,1H3,(H3,23,24,25,26,27)/p+1