1-adamantyl-[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]azanium

Systemtic Name: 1-adamantyl-[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]azanium Openeye Name: 1-adamantyl-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]ammonium CAS Name: 1-adamantyl-[2-oxo-2-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]ylamino)ethyl]ammonium IUPAC Name: 1-adamantyl-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]ammonium Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C[NH2+]C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C[NH2+]C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H32N2O3/c27-22(15-25-23-12-16-8-17(13-23)10-18(9-16)14-23)26-19-4-5-20-21(11-19)29-24(28-20)6-2-1-3-7-24/h4-5,11,16-18,25H,1-3,6-10,12-15H2,(H,26,27)/p+1