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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-cyclooctyl-azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-cyclooctyl-ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-cyclooctylammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-cyclooctylazanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-cyclooctyl-ammonium Formula: C18H28ClN2O3+ MolecularWeight: 355.87952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Cl)OCC(=O)N

InChI

InChI=1S/C18H27ClN2O3/c1-23-16-10-13(9-15(19)18(16)24-12-17(20)22)11-21-14-7-5-3-2-4-6-8-14/h9-10,14,21H,2-8,11-12H2,1H3,(H2,20,22)/p+1