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

Systemtic Name: N2-(3-methoxyphenyl)-6-(piperidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine Openeye Name: N2-(3-methoxyphenyl)-6-(piperidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(3-methoxyphenyl)-6-(1-piperidin-1-iumylmethyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(3-methoxyphenyl)-6-(piperidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(piperidin-1-ium-1-ylmethyl)-s-triazin-2-yl]-(3-methoxyphenyl)amine Formula: C16H23N6O+ MolecularWeight: 315.39342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCCCC3

InChI

InChI=1S/C16H22N6O/c1-23-13-7-5-6-12(10-13)18-16-20-14(19-15(17)21-16)11-22-8-3-2-4-9-22/h5-7,10H,2-4,8-9,11H2,1H3,(H3,17,18,19,20,21)/p+1