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

Systemtic Name: N2-(3-chloranyl-4-methyl-phenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(3-chloro-4-methyl-phenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(3-chloro-4-methylphenyl)-6-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(3-chloro-4-methylphenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-s-triazin-2-yl]-(3-chloro-4-methyl-phenyl)amine Formula: C17H25ClN7+ MolecularWeight: 362.8803

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC(=C(C=C3)C)Cl)N

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC(=C(C=C3)C)Cl)N

InChI

InChI=1S/C17H24ClN7/c1-3-24-6-8-25(9-7-24)11-15-21-16(19)23-17(22-15)20-13-5-4-12(2)14(18)10-13/h4-5,10H,3,6-9,11H2,1-2H3,(H3,19,20,21,22,23)/p+1