trimethyl-[4-[2-oxidanylidene-2-[4-(5-phenylmethoxyindol-1-yl)butoxy]ethyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[2-oxidanylidene-2-[4-(5-phenylmethoxyindol-1-yl)butoxy]ethyl]phenyl]azanium iodide Openeye Name: [4-[2-[4-(5-benzyloxyindol-1-yl)butoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[2-oxo-2-[4-(5-phenylmethoxy-1-indolyl)butoxy]ethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-oxo-2-[4-(5-phenylmethoxyindol-1-yl)butoxy]ethyl]phenyl]azanium iodide Traditional Name: [4-[2-[4-(5-benzoxyindol-1-yl)butoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C30H35IN2O3 MolecularWeight: 598.51497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C30H35N2O3.HI/c1-32(2,3)27-13-11-24(12-14-27)21-30(33)34-20-8-7-18-31-19-17-26-22-28(15-16-29(26)31)35-23-25-9-5-4-6-10-25;/h4-6,9-17,19,22H,7-8,18,20-21,23H2,1-3H3;1H/q+1;/p-1