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

Systemtic Name: 1-adamantyl-[(3R)-1-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1-adamantyl-[(3R)-1-(1,3-benzodioxol-5-yl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1-adamantyl-[(3R)-1-(1,3-benzodioxol-5-yl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1-adamantyl-[(3R)-1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: 1-adamantyl-[(3R)-1-(1,3-benzodioxol-5-yl)-2,5-diketo-pyrrolidin-3-yl]ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]C4CC(=O)N(C4=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1[C@H](C(=O)N(C1=O)C2=CC3=C(C=C2)OCO3)[NH2+]C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C21H24N2O4/c24-19-7-16(22-21-8-12-3-13(9-21)5-14(4-12)10-21)20(25)23(19)15-1-2-17-18(6-15)27-11-26-17/h1-2,6,12-14,16,22H,3-5,7-11H2/p+1/t12?,13?,14?,16-,21?/m1/s1