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

Systemtic Name: 1-adamantyl-[(3R)-1-(2,4-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1-adamantyl-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1-adamantyl-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1-adamantyl-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: 1-adamantyl-[(3R)-1-(2,4-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)[NH2+]C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C[C@H](C2=O)[NH2+]C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H28N2O2/c1-13-3-4-19(14(2)5-13)24-20(25)9-18(21(24)26)23-22-10-15-6-16(11-22)8-17(7-15)12-22/h3-5,15-18,23H,6-12H2,1-2H3/p+1/t15?,16?,17?,18-,22?/m1/s1