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

Systemtic Name: N2-(4-methylphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine Openeye Name: N2-(p-tolyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-methylphenyl)-6-(1-pyrrolidin-1-iumylmethyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-methylphenyl)-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]-(p-tolyl)amine Formula: C15H21N6+ MolecularWeight: 285.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCCC3

InChI

InChI=1S/C15H20N6/c1-11-4-6-12(7-5-11)17-15-19-13(18-14(16)20-15)10-21-8-2-3-9-21/h4-7H,2-3,8-10H2,1H3,(H3,16,17,18,19,20)/p+1