2-[[3-iodanyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-iodanyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(2-anilino-2-oxo-ethoxy)-3-iodo-5-methoxy-phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(2-anilino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[4-(2-anilino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[4-(2-anilino-2-keto-ethoxy)-3-iodo-5-methoxy-benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C20H28IN3O3+2 MolecularWeight: 485.35909

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CC1=CC(=C(C(=C1)I)OCC(=O)NC2=CC=CC=C2)OC

Isomeric SMILES

C[NH+](C)CC[NH2+]CC1=CC(=C(C(=C1)I)OCC(=O)NC2=CC=CC=C2)OC

InChI

InChI=1S/C20H26IN3O3/c1-24(2)10-9-22-13-15-11-17(21)20(18(12-15)26-3)27-14-19(25)23-16-7-5-4-6-8-16/h4-8,11-12,22H,9-10,13-14H2,1-3H3,(H,23,25)/p+2