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

Systemtic Name: 2-[[3-chloranyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylazaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[[4-(2-anilino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methylammonio]ethyl-diethyl-ammonium CAS Name: 2-[[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylammonio]ethyl-diethylammonium IUPAC Name: 2-[[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylazaniumyl]ethyl-diethylazanium Traditional Name: 2-[[4-(2-anilino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]ammonio]ethyl-diethyl-ammonium Formula: C22H32ClN3O3+2 MolecularWeight: 421.96078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O3/c1-4-26(5-2)12-11-24-15-17-13-19(23)22(20(14-17)28-3)29-16-21(27)25-18-9-7-6-8-10-18/h6-10,13-14,24H,4-5,11-12,15-16H2,1-3H3,(H,25,27)/p+2