trimethyl-[3-[4-(5-nitroindol-1-yl)butoxycarbonyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[3-[4-(5-nitroindol-1-yl)butoxycarbonyl]phenyl]azanium iodide Openeye Name: trimethyl-[3-[4-(5-nitroindol-1-yl)butoxycarbonyl]phenyl]ammonium iodide CAS Name: trimethyl-[3-[4-(5-nitro-1-indolyl)butoxy-oxomethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[3-[4-(5-nitroindol-1-yl)butoxycarbonyl]phenyl]azanium iodide Traditional Name: trimethyl-[3-[4-(5-nitroindol-1-yl)butoxycarbonyl]phenyl]ammonium iodide Formula: C22H26IN3O4 MolecularWeight: 523.36401

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C22H26N3O4.HI/c1-25(2,3)20-8-6-7-18(16-20)22(26)29-14-5-4-12-23-13-11-17-15-19(24(27)28)9-10-21(17)23;/h6-11,13,15-16H,4-5,12,14H2,1-3H3;1H/q+1;/p-1