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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (5-chloro-2-thienyl)methyl-[(1S)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1S)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-[(5-chloro-2-thienyl)methyl]-methyl-ammonium Formula: C17H22ClN2O3S+ MolecularWeight: 369.88618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[NH+](C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)[NH+](C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C17H21ClN2O3S/c1-9-14(17(22)23-5)10(2)19-15(9)16(21)11(3)20(4)8-12-6-7-13(18)24-12/h6-7,11,19H,8H2,1-5H3/p+1/t11-/m0/s1