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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (5-chloro-2-thienyl)methyl-[(1S)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1S)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-[(5-chloro-2-thienyl)methyl]-methyl-ammonium Formula: C18H24ClN2O3S+ MolecularWeight: 383.91276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O3S/c1-6-24-18(23)15-10(2)16(20-11(15)3)17(22)12(4)21(5)9-13-7-8-14(19)25-13/h7-8,12,20H,6,9H2,1-5H3/p+1/t12-/m0/s1