N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

Systemtic Name: N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-(thiazol-4-ylmethoxy)benzamide CAS Name: N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-(4-thiazolylmethoxy)benzamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-(thiazol-4-ylmethoxy)benzamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC=C(C=C2)OCC3=CSC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=CC=C(C=C2)OCC3=CSC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c26-22(18-6-8-21(9-7-18)27-14-20-15-28-16-23-20)24-19-10-11-25(13-19)12-17-4-2-1-3-5-17/h1-9,15-16,19H,10-14H2,(H,24,26)/p+1/t19-/m1/s1