1-adamantyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-(1-adamantyl)ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-(1-adamantyl)ammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-(1-adamantyl)azanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-(1-adamantyl)ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4)OCO2

InChI

InChI=1S/C21H26N2O4/c1-12(24)16-5-18-19(27-11-26-18)6-17(16)23-20(25)10-22-21-7-13-2-14(8-21)4-15(3-13)9-21/h5-6,13-15,22H,2-4,7-11H2,1H3,(H,23,25)/p+1