3-phenyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiophene-2-carboxamide

Systemtic Name: 3-phenyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiophene-2-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-phenyl-thiophene-2-carboxamide CAS Name: 3-phenyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-phenylthiophene-2-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-phenyl-thiophene-2-carboxamide Formula: C22H23N2OS+ MolecularWeight: 363.49582

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=C(C=CS2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=C(C=CS2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2OS/c25-22(21-20(12-14-26-21)18-9-5-2-6-10-18)23-19-11-13-24(16-19)15-17-7-3-1-4-8-17/h1-10,12,14,19H,11,13,15-16H2,(H,23,25)/p+1/t19-/m0/s1