3-chloranyl-6-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methyl-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methyl-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methyl-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide Formula: C21H24ClN2O2S+ MolecularWeight: 403.94546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC(C3=CC=C(O3)C)[NH+]4CCCC4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC[C@@H](C3=CC=C(O3)C)[NH+]4CCCC4)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-13-5-7-15-18(11-13)27-20(19(15)22)21(25)23-12-16(24-9-3-4-10-24)17-8-6-14(2)26-17/h5-8,11,16H,3-4,9-10,12H2,1-2H3,(H,23,25)/p+1/t16-/m0/s1