[4-[2-[7-(2-methoxycarbonyl-5-phenylmethoxy-indol-1-yl)heptoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide

Systemtic Name: [4-[2-[7-(2-methoxycarbonyl-5-phenylmethoxy-indol-1-yl)heptoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide Openeye Name: [4-[2-[7-(5-benzyloxy-2-methoxycarbonyl-indol-1-yl)heptoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: [4-[2-[7-(2-methoxycarbonyl-5-phenylmethoxy-1-indolyl)heptoxy]-2-oxoethyl]phenyl]-trimethylammonium iodide IUPAC Name: [4-[2-[7-(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)heptoxy]-2-oxoethyl]phenyl]-trimethylazanium iodide Traditional Name: [4-[2-[7-(5-benzoxy-2-carbomethoxy-indol-1-yl)heptoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C35H43IN2O5 MolecularWeight: 698.63079

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC.[I-]

InChI

InChI=1S/C35H43N2O5.HI/c1-37(2,3)30-17-15-27(16-18-30)23-34(38)41-22-12-7-5-6-11-21-36-32-20-19-31(42-26-28-13-9-8-10-14-28)24-29(32)25-33(36)35(39)40-4;/h8-10,13-20,24-25H,5-7,11-12,21-23,26H2,1-4H3;1H/q+1;/p-1