3,4-bis(chloranyl)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,4-bis(chloranyl)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,4-dichloro-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide CAS Name: 3,4-dichloro-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,4-dichloro-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,4-dichloro-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide Formula: C20H21Cl2N2O2S+ MolecularWeight: 424.36394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl)[NH+]4CCCC4

InChI

InChI=1S/C20H20Cl2N2O2S/c1-12-7-8-15(26-12)14(24-9-2-3-10-24)11-23-20(25)19-18(22)17-13(21)5-4-6-16(17)27-19/h4-8,14H,2-3,9-11H2,1H3,(H,23,25)/p+1/t14-/m0/s1