1-adamantyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4)OC1

InChI

InChI=1S/C21H28N2O3/c24-20(23-17-2-3-18-19(9-17)26-5-1-4-25-18)13-22-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16,22H,1,4-8,10-13H2,(H,23,24)/p+1