[4-[[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[(3R)-3-acetamido-1-oxo-3-phenylpropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[(3R)-3-acetamido-3-phenylpropanoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCC1=CC=C(C=C1)C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NCC1=CC=C(C=C1)C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2/c1-16(25)23-20(19-7-5-4-6-8-19)13-21(26)22-14-17-9-11-18(12-10-17)15-24(2)3/h4-12,20H,13-15H2,1-3H3,(H,22,26)(H,23,25)/p+1/t20-/m1/s1