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

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-(2-furanylmethyl)-methylammonium IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)[NH+](C)CC2=CC=CO2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+](C)CC2=CC=CO2

InChI

InChI=1S/C17H22N2O3/c1-10-15(13(4)20)11(2)18-16(10)17(21)12(3)19(5)9-14-7-6-8-22-14/h6-8,12,18H,9H2,1-5H3/p+1/t12-/m0/s1