N-[3-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C25H27N3O3S/c1-31-22-11-3-2-10-20(22)21(28-13-4-5-14-28)17-26-24(29)18-8-6-9-19(16-18)27-25(30)23-12-7-15-32-23/h2-3,6-12,15-16,21H,4-5,13-14,17H2,1H3,(H,26,29)(H,27,30)/p+1/t21-/m0/s1