3-[[4-(6-methylheptoxy)phenyl]methyl]-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine

Systemtic Name: 3-[[4-(6-methylheptoxy)phenyl]methyl]-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine Openeye Name: 3-[[4-(6-methylheptoxy)phenyl]methyl]-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine CAS Name: 3-[[4-(6-methylheptoxy)phenyl]methyl]-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine IUPAC Name: 3-[[4-(6-methylheptoxy)phenyl]methyl]-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine Traditional Name: [6-amino-3-[4-(6-methylheptoxy)benzyl]-1,4-dihydro-s-triazin-3-ium-2-yl]amine Formula: C18H30N5O+ MolecularWeight: 332.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC1=CC=C(C=C1)C[N+]2=C(NC(=NC2)N)N

Isomeric SMILES

CC(C)CCCCCOC1=CC=C(C=C1)C[N+]2=C(NC(=NC2)N)N

InChI

InChI=1S/C18H29N5O/c1-14(2)6-4-3-5-11-24-16-9-7-15(8-10-16)12-23-13-21-17(19)22-18(23)20/h7-10,14H,3-6,11-13H2,1-2H3,(H4,19,20,21,22)/p+1