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

Systemtic Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: [(1S)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [(1S)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C19H27N2O3S+ MolecularWeight: 363.49428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+](C)CC2=C(C=CS2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH+](C)CC2=C(C=CS2)C)C

InChI

InChI=1S/C19H26N2O3S/c1-7-24-19(23)16-12(3)17(20-13(16)4)18(22)14(5)21(6)10-15-11(2)8-9-25-15/h8-9,14,20H,7,10H2,1-6H3/p+1/t14-/m0/s1