(4-ethylphenyl)methyl-methyl-[2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium

Systemtic Name: (4-ethylphenyl)methyl-methyl-[2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium Openeye Name: [2-[[(1R)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-[(4-ethylphenyl)methyl]-methyl-ammonium CAS Name: (4-ethylphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: (4-ethylphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: [2-[[(1R)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]-(4-ethylbenzyl)-methyl-ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)NC(CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-4-18-10-12-20(13-11-18)15-24(3)16-22(26)23-21(17(2)25)14-19-8-6-5-7-9-19/h5-13,21H,4,14-16H2,1-3H3,(H,23,26)/p+1/t21-/m1/s1