(5-chloranylthiophen-2-yl)methyl-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](C)CC2=CC=C(S2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+](C)CC2=CC=C(S2)Cl)C

InChI

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