2-[[2-chloranyl-5-ethoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-chloranyl-5-ethoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[2-chloro-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[2-chloro-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[2-chloro-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[2-chloro-5-ethoxy-4-[2-keto-2-(phenethylamino)ethoxy]benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C23H34ClN3O3+2 MolecularWeight: 435.98736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C[NH2+]CC[NH+](C)C)Cl)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C[NH2+]CC[NH+](C)C)Cl)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C23H32ClN3O3/c1-4-29-21-14-19(16-25-12-13-27(2)3)20(24)15-22(21)30-17-23(28)26-11-10-18-8-6-5-7-9-18/h5-9,14-15,25H,4,10-13,16-17H2,1-3H3,(H,26,28)/p+2