(4-ethylphenyl)-[(2S)-1-[ethyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (4-ethylphenyl)-[(2S)-1-[ethyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[benzyl(ethyl)amino]-1-methyl-2-oxo-ethyl]-(4-ethylphenyl)ammonium CAS Name: (4-ethylphenyl)-[(2S)-1-[ethyl-(phenylmethyl)amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-(4-ethylphenyl)azanium Traditional Name: [(1S)-2-[benzyl(ethyl)amino]-2-keto-1-methyl-ethyl]-(4-ethylphenyl)ammonium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)[NH2+]C(C)C(=O)N(CC)CC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)[NH2+][C@@H](C)C(=O)N(CC)CC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O/c1-4-17-11-13-19(14-12-17)21-16(3)20(23)22(5-2)15-18-9-7-6-8-10-18/h6-14,16,21H,4-5,15H2,1-3H3/p+1/t16-/m0/s1