methyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: methyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [(2S)-2-hydroxy-2-phenyl-ethyl]-methyl-[2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-2-hydroxy-2-phenylethyl]-methyl-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]ammonium IUPAC Name: [(2S)-2-hydroxy-2-phenylethyl]-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium Traditional Name: [(2S)-2-hydroxy-2-phenyl-ethyl]-[2-keto-2-(4-morpholinoanilino)ethyl]-methyl-ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(C1=CC=CC=C1)O)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

C[NH+](C[C@H](C1=CC=CC=C1)O)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H27N3O3/c1-23(15-20(25)17-5-3-2-4-6-17)16-21(26)22-18-7-9-19(10-8-18)24-11-13-27-14-12-24/h2-10,20,25H,11-16H2,1H3,(H,22,26)/p+1/t20-/m1/s1