1-adamantyl-[(1R)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]azanium

Systemtic Name: 1-adamantyl-[(1R)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]azanium Openeye Name: 1-adamantyl-[(1R)-2-[(4-methoxyphenyl)methyl]-3-oxo-isoindolin-1-yl]ammonium CAS Name: 1-adamantyl-[(1R)-2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-1-yl]ammonium IUPAC Name: 1-adamantyl-[(1R)-2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-1-yl]azanium Traditional Name: 1-adamantyl-[(1R)-3-keto-2-p-anisyl-isoindolin-1-yl]ammonium Formula: C26H31N2O2+ MolecularWeight: 403.53654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)[NH2+]C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2[C@H](C3=CC=CC=C3C2=O)[NH2+]C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H30N2O2/c1-30-21-8-6-17(7-9-21)16-28-24(22-4-2-3-5-23(22)25(28)29)27-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-9,18-20,24,27H,10-16H2,1H3/p+1/t18?,19?,20?,24-,26?/m1/s1