cyclooctyl-[[3-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl]azanium

Systemtic Name: cyclooctyl-[[3-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl]azanium Openeye Name: [4-[2-(benzylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-cyclooctyl-ammonium CAS Name: cyclooctyl-[[3-methoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl]ammonium IUPAC Name: [4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-cyclooctylazanium Traditional Name: [4-[2-(benzylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-cyclooctyl-ammonium Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O3/c1-29-24-16-21(18-26-22-12-8-3-2-4-9-13-22)14-15-23(24)30-19-25(28)27-17-20-10-6-5-7-11-20/h5-7,10-11,14-16,22,26H,2-4,8-9,12-13,17-19H2,1H3,(H,27,28)/p+1