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

Systemtic Name: 1-adamantylmethyl-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]-(1-adamantylmethyl)ammonium CAS Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-(1-adamantylmethyl)ammonium IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-(1-adamantylmethyl)azanium Traditional Name: [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]-(1-adamantylmethyl)ammonium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH2+]CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH2+]CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O2/c1-14(21(26)24-20-5-3-19(4-6-20)15(2)25)23-13-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,14,16-18,23H,7-13H2,1-2H3,(H,24,26)/p+1/t14-,16?,17?,18?,22?/m1/s1