[2-[[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium

Systemtic Name: [2-[[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C20H31ClN3O3+ MolecularWeight: 396.93144

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C[NH2+]C2CCCCCCC2

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C[NH2+]C2CCCCCCC2

InChI

InChI=1S/C20H30ClN3O3/c1-24(20(26)13-22-16-8-6-4-3-5-7-9-16)14-19(25)23-17-12-15(21)10-11-18(17)27-2/h10-12,16,22H,3-9,13-14H2,1-2H3,(H,23,25)/p+1