1-adamantyl-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium

Systemtic Name: 1-adamantyl-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1-adamantyl-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1-adamantyl-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1-adamantyl-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: 1-adamantyl-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]ammonium Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)[NH2+]C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C[C@H](C2=O)[NH2+]C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C22H28N2O4/c1-27-16-3-4-18(19(8-16)28-2)24-20(25)9-17(21(24)26)23-22-10-13-5-14(11-22)7-15(6-13)12-22/h3-4,8,13-15,17,23H,5-7,9-12H2,1-2H3/p+1/t13?,14?,15?,17-,22?/m1/s1