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

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-(1-azepan-1-iumylmethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-ium-1-ylmethyl)-s-triazin-2-yl]-phenyl-amine Formula: C16H23N6+ MolecularWeight: 299.39402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C16H22N6/c17-15-19-14(12-22-10-6-1-2-7-11-22)20-16(21-15)18-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H3,17,18,19,20,21)/p+1