2-(1-phenylimidazol-2-yl)sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(1-phenylimidazol-2-yl)sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(1-phenylimidazol-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-phenyl-2-imidazolyl)thio]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(1-phenylimidazol-2-yl)thio]acetamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CSC2=NC=CN2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CSC2=NC=CN2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c27-21(17-28-22-23-12-14-26(22)20-9-5-2-6-10-20)24-19-11-13-25(16-19)15-18-7-3-1-4-8-18/h1-10,12,14,19H,11,13,15-17H2,(H,24,27)/p+1/t19-/m0/s1