1-adamantyl-[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantyl-[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantyl-[(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27N3O2/c1-12(19(25)22-17-4-2-16(3-5-17)18(21)24)23-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,12-15,23H,6-11H2,1H3,(H2,21,24)(H,22,25)/p+1/t12-,13?,14?,15?,20?/m1/s1