[3-chloranyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl-cyclohexyl-azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl-cyclohexyl-azanium Openeye Name: [4-(2-anilino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-cyclohexyl-ammonium CAS Name: [4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-cyclohexylammonium IUPAC Name: [4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-cyclohexylazanium Traditional Name: [4-(2-anilino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-cyclohexyl-ammonium Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Cl)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Cl)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O3/c1-27-20-13-16(14-24-17-8-4-2-5-9-17)12-19(23)22(20)28-15-21(26)25-18-10-6-3-7-11-18/h3,6-7,10-13,17,24H,2,4-5,8-9,14-15H2,1H3,(H,25,26)/p+1