6-(azepan-1-ium-1-ylmethyl)-N2-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-N2-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-N2-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-(1-azepan-1-iumylmethyl)-N2-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-ium-1-ylmethyl)-s-triazin-2-yl]-(3-methoxyphenyl)amine Formula: C17H25N6O+ MolecularWeight: 329.42

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCCCCC3

InChI

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