N2-(3-chloranyl-2-methyl-phenyl)-6-(piperidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(3-chloranyl-2-methyl-phenyl)-6-(piperidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine Openeye Name: N2-(3-chloro-2-methyl-phenyl)-6-(piperidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(3-chloro-2-methylphenyl)-6-(1-piperidin-1-iumylmethyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(3-chloro-2-methylphenyl)-6-(piperidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(piperidin-1-ium-1-ylmethyl)-s-triazin-2-yl]-(3-chloro-2-methyl-phenyl)amine Formula: C16H22ClN6+ MolecularWeight: 333.83908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)C[NH+]3CCCCC3

InChI

InChI=1S/C16H21ClN6/c1-11-12(17)6-5-7-13(11)19-16-21-14(20-15(18)22-16)10-23-8-3-2-4-9-23/h5-7H,2-4,8-10H2,1H3,(H3,18,19,20,21,22)/p+1