3-[3-chloranyl-4-(3-phenoxypropoxy)phenyl]-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine

Systemtic Name: 3-[3-chloranyl-4-(3-phenoxypropoxy)phenyl]-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine Openeye Name: 3-[3-chloro-4-(3-phenoxypropoxy)phenyl]-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine CAS Name: 3-[3-chloro-4-(3-phenoxypropoxy)phenyl]-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine IUPAC Name: 3-[3-chloro-4-(3-phenoxypropoxy)phenyl]-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine Traditional Name: [6-amino-3-[3-chloro-4-(3-phenoxypropoxy)phenyl]-4,4-dimethyl-1H-s-triazin-3-ium-2-yl]amine Formula: C20H25ClN5O2+ MolecularWeight: 402.8978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(NC(=[N+]1C2=CC(=C(C=C2)OCCCOC3=CC=CC=C3)Cl)N)N)C

Isomeric SMILES

CC1(N=C(NC(=[N+]1C2=CC(=C(C=C2)OCCCOC3=CC=CC=C3)Cl)N)N)C

InChI

InChI=1S/C20H24ClN5O2/c1-20(2)25-18(22)24-19(23)26(20)14-9-10-17(16(21)13-14)28-12-6-11-27-15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3,(H4,22,23,24,25)/p+1