[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)azanium

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)azanium Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-(2-morpholino-2-oxo-ethyl)ammonium CAS Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-[2-(4-morpholinyl)-2-oxoethyl]ammonium IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium Traditional Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(2-keto-2-morpholino-ethyl)-methyl-ammonium Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)[NH+](C)CC(=O)N2CCOCC2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+](C)CC(=O)N2CCOCC2

InChI

InChI=1S/C18H27N3O4/c1-11-16(14(4)22)12(2)19-17(11)18(24)13(3)20(5)10-15(23)21-6-8-25-9-7-21/h13,19H,6-10H2,1-5H3/p+1/t13-/m0/s1