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

Systemtic Name: methyl-[2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]-(2-phenoxyethyl)azanium Openeye Name: [2-[[(1R)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-(2-phenoxyethyl)azanium Traditional Name: [2-[[(1R)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+](C)CCOC2=CC=CC=C2

Isomeric SMILES

CC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C[NH+](C)CCOC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-17(24)20(15-18-9-5-3-6-10-18)22-21(25)16-23(2)13-14-26-19-11-7-4-8-12-19/h3-12,20H,13-16H2,1-2H3,(H,22,25)/p+1/t20-/m1/s1