trimethyl-[4-[5-(5-nitroindol-1-yl)pentoxycarbonyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[5-(5-nitroindol-1-yl)pentoxycarbonyl]phenyl]azanium iodide Openeye Name: trimethyl-[4-[5-(5-nitroindol-1-yl)pentoxycarbonyl]phenyl]ammonium iodide CAS Name: trimethyl-[4-[5-(5-nitro-1-indolyl)pentoxy-oxomethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[5-(5-nitroindol-1-yl)pentoxycarbonyl]phenyl]azanium iodide Traditional Name: trimethyl-[4-[5-(5-nitroindol-1-yl)pentoxycarbonyl]phenyl]ammonium iodide Formula: C23H28IN3O4 MolecularWeight: 537.39059

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)C(=O)OCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)C(=O)OCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C23H28N3O4.HI/c1-26(2,3)21-10-7-18(8-11-21)23(27)30-16-6-4-5-14-24-15-13-19-17-20(25(28)29)9-12-22(19)24;/h7-13,15,17H,4-6,14,16H2,1-3H3;1H/q+1;/p-1