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

Systemtic Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C16H21N2O3S+ MolecularWeight: 321.41454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+](C)CC2=CSC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+](C)CC2=CSC=C2

InChI

InChI=1S/C16H20N2O3S/c1-10-14(16(20)21-4)11(2)17-15(10)13(19)8-18(3)7-12-5-6-22-9-12/h5-6,9,17H,7-8H2,1-4H3/p+1