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

Systemtic Name: 1-adamantyl-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]-(1-adamantyl)ammonium CAS Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-(1-adamantyl)ammonium IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-(1-adamantyl)azanium Traditional Name: [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]-(1-adamantyl)ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-13(20(25)22-19-5-3-18(4-6-19)14(2)24)23-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,13,15-17,23H,7-12H2,1-2H3,(H,22,25)/p+1/t13-,15?,16?,17?,21?/m1/s1