methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]azanium

Systemtic Name: methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]azanium Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl]-methyl-[(2-morpholinophenyl)methyl]ammonium CAS Name: [(2S)-1-anilino-1-oxopropan-2-yl]-methyl-[[2-(4-morpholinyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl]-methyl-[(2-morpholin-4-ylphenyl)methyl]azanium Traditional Name: [(1S)-2-anilino-2-keto-1-methyl-ethyl]-methyl-(2-morpholinobenzyl)ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CC=CC=C2N3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CC=CC=C2N3CCOCC3

InChI

InChI=1S/C21H27N3O2/c1-17(21(25)22-19-9-4-3-5-10-19)23(2)16-18-8-6-7-11-20(18)24-12-14-26-15-13-24/h3-11,17H,12-16H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1