trimethyl-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]azanium iodide

Systemtic Name: trimethyl-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]azanium iodide Openeye Name: [3-[2-(tert-butoxycarbonylamino)ethyl]-1H-indol-5-yl]-trimethyl-ammonium iodide CAS Name: trimethyl-[3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-1H-indol-5-yl]ammonium iodide IUPAC Name: trimethyl-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]azanium iodide Traditional Name: [3-[2-(tert-butoxycarbonylamino)ethyl]-1H-indol-5-yl]-trimethyl-ammonium iodide Formula: C18H28IN3O2 MolecularWeight: 445.33829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CNC2=C1C=C(C=C2)[N+](C)(C)C.[I-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CNC2=C1C=C(C=C2)[N+](C)(C)C.[I-]

InChI

InChI=1S/C18H27N3O2.HI/c1-18(2,3)23-17(22)19-10-9-13-12-20-16-8-7-14(11-15(13)16)21(4,5)6;/h7-8,11-12,20H,9-10H2,1-6H3;1H