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

Systemtic Name: N2-(2-ethylphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-ethylphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-ethylphenyl)-6-(1-pyrrolidin-1-iumylmethyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-ethylphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(pyrrolidin-1-ium-1-ylmethyl)-s-triazin-2-yl]-(2-ethylphenyl)amine Formula: C16H23N6+ MolecularWeight: 299.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCCC3

InChI

InChI=1S/C16H22N6/c1-2-12-7-3-4-8-13(12)18-16-20-14(19-15(17)21-16)11-22-9-5-6-10-22/h3-4,7-8H,2,5-6,9-11H2,1H3,(H3,17,18,19,20,21)/p+1