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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]C3CCCCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]C3CCCCCCC3)OC

InChI

InChI=1S/C25H34N2O3/c1-19-10-13-22(14-11-19)27-25(28)18-30-23-15-12-20(16-24(23)29-2)17-26-21-8-6-4-3-5-7-9-21/h10-16,21,26H,3-9,17-18H2,1-2H3,(H,27,28)/p+1