N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-thiophen-2-ylcarbonyl-benzamide

Systemtic Name: N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-thiophen-2-ylcarbonyl-benzamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(thiophene-2-carbonyl)benzamide CAS Name: 2-[oxo(thiophen-2-yl)methyl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(thiophene-2-carbonyl)benzamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2-thenoyl)benzamide Formula: C23H23N2O2S+ MolecularWeight: 391.50592

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S/c26-22(21-11-6-14-28-21)19-9-4-5-10-20(19)23(27)24-18-12-13-25(16-18)15-17-7-2-1-3-8-17/h1-11,14,18H,12-13,15-16H2,(H,24,27)/p+1/t18-/m1/s1