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

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-N2-(3-chloranyl-2-methyl-phenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-N2-(3-chloro-2-methyl-phenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-(1-azepan-1-iumylmethyl)-N2-(3-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-2-N-(3-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-ium-1-ylmethyl)-s-triazin-2-yl]-(3-chloro-2-methyl-phenyl)amine Formula: C17H24ClN6+ MolecularWeight: 347.86566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)C[NH+]3CCCCCC3

InChI

InChI=1S/C17H23ClN6/c1-12-13(18)7-6-8-14(12)20-17-22-15(21-16(19)23-17)11-24-9-4-2-3-5-10-24/h6-8H,2-5,9-11H2,1H3,(H3,19,20,21,22,23)/p+1