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

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-N2-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-N2-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-(1-azepan-1-iumylmethyl)-N2-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-2-N-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-ium-1-ylmethyl)-s-triazin-2-yl]-(2,4-dimethylphenyl)amine Formula: C18H27N6+ MolecularWeight: 327.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C18H26N6/c1-13-7-8-15(14(2)11-13)20-18-22-16(21-17(19)23-18)12-24-9-5-3-4-6-10-24/h7-8,11H,3-6,9-10,12H2,1-2H3,(H3,19,20,21,22,23)/p+1