[(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]azanium

Systemtic Name: [(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]azanium Openeye Name: [(1S)-2-methoxy-2-oxo-1-phenyl-ethyl]-[[2-(morpholinosulfonylmethyl)phenyl]methyl]ammonium CAS Name: [(1S)-2-methoxy-2-oxo-1-phenylethyl]-[[2-(4-morpholinylsulfonylmethyl)phenyl]methyl]ammonium IUPAC Name: [(1S)-2-methoxy-2-oxo-1-phenylethyl]-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]azanium Traditional Name: [(1S)-2-keto-2-methoxy-1-phenyl-ethyl]-[2-(morpholinosulfonylmethyl)benzyl]ammonium Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)[NH2+]CC2=CC=CC=C2CS(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)[NH2+]CC2=CC=CC=C2CS(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H26N2O5S/c1-27-21(24)20(17-7-3-2-4-8-17)22-15-18-9-5-6-10-19(18)16-29(25,26)23-11-13-28-14-12-23/h2-10,20,22H,11-16H2,1H3/p+1/t20-/m0/s1