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

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-N2-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-N2-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-(1-azepan-1-iumylmethyl)-N2-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-ium-1-ylmethyl)-s-triazin-2-yl]-(4-chlorophenyl)amine Formula: C16H22ClN6+ MolecularWeight: 333.83908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN6/c17-12-5-7-13(8-6-12)19-16-21-14(20-15(18)22-16)11-23-9-3-1-2-4-10-23/h5-8H,1-4,9-11H2,(H3,18,19,20,21,22)/p+1