2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethyl-[(3-nitrophenyl)methyl]azanium

Systemtic Name: 2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethyl-[(3-nitrophenyl)methyl]azanium Openeye Name: 2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl-[(3-nitrophenyl)methyl]ammonium CAS Name: 2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl-[(3-nitrophenyl)methyl]ammonium IUPAC Name: 2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl-[(3-nitrophenyl)methyl]azanium Traditional Name: 2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl-(3-nitrobenzyl)ammonium Formula: C19H19F3N3O3+ MolecularWeight: 394.36767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OC(F)(F)F)CC[NH2+]CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OC(F)(F)F)CC[NH2+]CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O3/c1-12-16(7-8-23-11-13-3-2-4-14(9-13)25(26)27)17-10-15(28-19(20,21)22)5-6-18(17)24-12/h2-6,9-10,23-24H,7-8,11H2,1H3/p+1