cyclooctyl-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-(3,4-dimethoxyanilino)-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-(3,4-dimethoxyanilino)-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]ammonium Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH2+]C2CCCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH2+]C2CCCCCCC2)OC

InChI

InChI=1S/C18H28N2O3/c1-22-16-11-10-15(12-17(16)23-2)20-18(21)13-19-14-8-6-4-3-5-7-9-14/h10-12,14,19H,3-9,13H2,1-2H3,(H,20,21)/p+1