[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-(2-furylmethyl)-methyl-ammonium CAS Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-(2-furanylmethyl)-methylammonium IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl-(2-furfuryl)-methyl-ammonium Formula: C17H21N6O+ MolecularWeight: 325.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C17H20N6O/c1-12-6-3-4-8-14(12)19-17-21-15(20-16(18)22-17)11-23(2)10-13-7-5-9-24-13/h3-9H,10-11H2,1-2H3,(H3,18,19,20,21,22)/p+1