2-adamantyl-[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 2-adamantyl-[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2-adamantyl-[(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 2-adamantyl-[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 2-adamantyl-[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 2-adamantyl-[(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)[NH2+]C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)[NH2+]C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H30N2O/c1-3-23(19-7-5-4-6-8-19)21(24)14(2)22-20-17-10-15-9-16(12-17)13-18(20)11-15/h4-8,14-18,20,22H,3,9-13H2,1-2H3/p+1/t14-,15?,16?,17?,18?,20?/m0/s1