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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CC[NH+](CC1=CC=CS1)[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C19H26N2O3S/c1-6-21(11-15-9-8-10-25-15)14(5)18(22)17-12(3)16(13(4)20-17)19(23)24-7-2/h8-10,14,20H,6-7,11H2,1-5H3/p+1/t14-/m1/s1