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

Systemtic Name: 1-adamantyl-[(3R)-1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1-adamantyl-[(3R)-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1-adamantyl-[(3R)-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1-adamantyl-[(3R)-1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: 1-adamantyl-[(3R)-1-(4-carbethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]ammonium Formula: C23H29N2O4+ MolecularWeight: 397.48736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-2-29-22(28)17-3-5-18(6-4-17)25-20(26)10-19(21(25)27)24-23-11-14-7-15(12-23)9-16(8-14)13-23/h3-6,14-16,19,24H,2,7-13H2,1H3/p+1/t14?,15?,16?,19-,23?/m1/s1