[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methyl-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: [2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C17H23N2O3S+ MolecularWeight: 335.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+](C)C(C)C2=CC=CS2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+](C)[C@H](C)C2=CC=CS2

InChI

InChI=1S/C17H22N2O3S/c1-10-15(17(21)22-5)11(2)18-16(10)13(20)9-19(4)12(3)14-7-6-8-23-14/h6-8,12,18H,9H2,1-5H3/p+1/t12-/m1/s1