1-adamantyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1R)-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2R)-1-[(2-methoxy-3-dibenzofuranyl)amino]-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantyl-[(1R)-2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-ethyl]ammonium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)[NH2+]C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)[NH2+]C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H30N2O3/c1-15(28-26-12-16-7-17(13-26)9-18(8-16)14-26)25(29)27-21-11-23-20(10-24(21)30-2)19-5-3-4-6-22(19)31-23/h3-6,10-11,15-18,28H,7-9,12-14H2,1-2H3,(H,27,29)/p+1/t15-,16?,17?,18?,26?/m1/s1