6-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-s-triazin-2-yl]amine Formula: C17H25N6O+ MolecularWeight: 329.42

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC3=NC(=NC(=N3)N)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C17H24N6O/c1-24-13-8-6-12(7-9-13)14-5-3-2-4-10-23(14)11-15-20-16(18)22-17(19)21-15/h6-9,14H,2-5,10-11H2,1H3,(H4,18,19,20,21,22)/p+1/t14-/m1/s1