6-[[3-(4-bromophenyl)-1-methyl-3H-indazol-1-ium-6-yl]oxy]-N-methyl-N-prop-2-enyl-hexan-1-amine

Systemtic Name: 6-[[3-(4-bromophenyl)-1-methyl-3H-indazol-1-ium-6-yl]oxy]-N-methyl-N-prop-2-enyl-hexan-1-amine Openeye Name: N-allyl-6-[[3-(4-bromophenyl)-1-methyl-3H-indazol-1-ium-6-yl]oxy]-N-methyl-hexan-1-amine CAS Name: 6-[[3-(4-bromophenyl)-1-methyl-3H-indazol-1-ium-6-yl]oxy]-N-methyl-N-prop-2-enyl-1-hexanamine IUPAC Name: 6-[[3-(4-bromophenyl)-1-methyl-3H-indazol-1-ium-6-yl]oxy]-N-methyl-N-prop-2-enylhexan-1-amine Traditional Name: allyl-[6-[[3-(4-bromophenyl)-1-methyl-3H-indazol-1-ium-6-yl]oxy]hexyl]-methyl-amine Formula: C24H31BrN3O+ MolecularWeight: 457.42644

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(C2=C1C=C(C=C2)OCCCCCCN(C)CC=C)C3=CC=C(C=C3)Br

Isomeric SMILES

C[N+]1=NC(C2=C1C=C(C=C2)OCCCCCCN(C)CC=C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H31BrN3O/c1-4-15-27(2)16-7-5-6-8-17-29-21-13-14-22-23(18-21)28(3)26-24(22)19-9-11-20(25)12-10-19/h4,9-14,18,24H,1,5-8,15-17H2,2-3H3/q+1