1-adamantyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium

Systemtic Name: 1-adamantyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium Openeye Name: 1-adamantyl-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]ammonium IUPAC Name: 1-adamantyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium Traditional Name: 1-adamantyl-[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O3/c1-14(2)27-21(26)18-3-5-19(6-4-18)24-20(25)13-23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17,23H,7-13H2,1-2H3,(H,24,25)/p+1