[(2S)-4-(diethylamino)-4-oxidanylidene-butan-2-yl]-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium

Systemtic Name: [(2S)-4-(diethylamino)-4-oxidanylidene-butan-2-yl]-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium Openeye Name: [(1S)-3-(diethylamino)-1-methyl-3-oxo-propyl]-[(4-morpholinosulfonylphenyl)methyl]ammonium CAS Name: [(2S)-4-(diethylamino)-4-oxobutan-2-yl]-[[4-(4-morpholinylsulfonyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-4-(diethylamino)-4-oxobutan-2-yl]-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium Traditional Name: [(1S)-3-(diethylamino)-3-keto-1-methyl-propyl]-(4-morpholinosulfonylbenzyl)ammonium Formula: C19H32N3O4S+ MolecularWeight: 398.54008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CC(C)[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCN(CC)C(=O)C[C@H](C)[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C19H31N3O4S/c1-4-21(5-2)19(23)14-16(3)20-15-17-6-8-18(9-7-17)27(24,25)22-10-12-26-13-11-22/h6-9,16,20H,4-5,10-15H2,1-3H3/p+1/t16-/m0/s1