6-(azocan-1-ium-1-ylmethyl)-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(azocan-1-ium-1-ylmethyl)-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(azocan-1-ium-1-ylmethyl)-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-(1-azocan-1-iumylmethyl)-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(azocan-1-ium-1-ylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(azocan-1-ium-1-ylmethyl)-s-triazin-2-yl]-(2-ethylphenyl)amine Formula: C19H29N6+ MolecularWeight: 341.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCCCCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCCCCCC3

InChI

InChI=1S/C19H28N6/c1-2-15-10-6-7-11-16(15)21-19-23-17(22-18(20)24-19)14-25-12-8-4-3-5-9-13-25/h6-7,10-11H,2-5,8-9,12-14H2,1H3,(H3,20,21,22,23,24)/p+1