3-[(5-bromanyl-1H-indol-3-yl)carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(5-bromanyl-1H-indol-3-yl)carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(5-bromo-1H-indole-3-carbonyl)amino]propyl]-methyl-ammonium CAS Name: 3-[[(5-bromo-1H-indol-3-yl)-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(5-bromo-1H-indole-3-carbonyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(5-bromo-1H-indole-3-carbonyl)amino]propyl]-methyl-ammonium Formula: C20H23BrN3O+ MolecularWeight: 401.32012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CNC2=C1C=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CNC2=C1C=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H22BrN3O/c1-24(14-15-6-3-2-4-7-15)11-5-10-22-20(25)18-13-23-19-9-8-16(21)12-17(18)19/h2-4,6-9,12-13,23H,5,10-11,14H2,1H3,(H,22,25)/p+1