N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-benzothiophene-2-carboxamide Formula: C20H23N2O2S+ MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C20H22N2O2S/c1-14-15-7-2-3-9-18(15)25-19(14)20(23)21-13-16(17-8-6-12-24-17)22-10-4-5-11-22/h2-3,6-9,12,16H,4-5,10-11,13H2,1H3,(H,21,23)/p+1/t16-/m1/s1