2-adamantyl-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: 2-adamantyl-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[4-(2-indolin-1-yl-2-oxo-ethoxy)-3-methoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 2-adamantyl-[4-(2-indolin-1-yl-2-keto-ethoxy)-3-methoxy-benzyl]ammonium Formula: C28H35N2O3+ MolecularWeight: 447.5891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC(=O)N5CCC6=CC=CC=C65

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC(=O)N5CCC6=CC=CC=C65

InChI

InChI=1S/C28H34N2O3/c1-32-26-15-18(16-29-28-22-11-19-10-20(13-22)14-23(28)12-19)6-7-25(26)33-17-27(31)30-9-8-21-4-2-3-5-24(21)30/h2-7,15,19-20,22-23,28-29H,8-14,16-17H2,1H3/p+1