2-(4-bromophenyl)sulfanylethyl-[(2R)-4-morpholin-4-yl-4-oxidanylidene-butan-2-yl]azanium

Systemtic Name: 2-(4-bromophenyl)sulfanylethyl-[(2R)-4-morpholin-4-yl-4-oxidanylidene-butan-2-yl]azanium Openeye Name: 2-(4-bromophenyl)sulfanylethyl-[(1R)-1-methyl-3-morpholino-3-oxo-propyl]ammonium CAS Name: 2-[(4-bromophenyl)thio]ethyl-[(2R)-4-(4-morpholinyl)-4-oxobutan-2-yl]ammonium IUPAC Name: 2-(4-bromophenyl)sulfanylethyl-[(2R)-4-morpholin-4-yl-4-oxobutan-2-yl]azanium Traditional Name: 2-[(4-bromophenyl)thio]ethyl-[(1R)-3-keto-1-methyl-3-morpholino-propyl]ammonium Formula: C16H24BrN2O2S+ MolecularWeight: 388.34296

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCOCC1)[NH2+]CCSC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](CC(=O)N1CCOCC1)[NH2+]CCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H23BrN2O2S/c1-13(12-16(20)19-7-9-21-10-8-19)18-6-11-22-15-4-2-14(17)3-5-15/h2-5,13,18H,6-12H2,1H3/p+1/t13-/m1/s1