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

Systemtic Name: N2-(3-chloranyl-4-methyl-phenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(3-chloro-4-methyl-phenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(3-chloro-4-methylphenyl)-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(3-chloro-4-methylphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-s-triazin-2-yl]-(3-chloro-4-methyl-phenyl)amine Formula: C16H23ClN7+ MolecularWeight: 348.85372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CN3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CN3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C16H22ClN7/c1-11-3-4-12(9-13(11)17)19-16-21-14(20-15(18)22-16)10-24-7-5-23(2)6-8-24/h3-4,9H,5-8,10H2,1-2H3,(H3,18,19,20,21,22)/p+1