N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(thiazol-4-ylmethoxy)benzamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-(4-thiazolylmethoxy)benzamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-4-(thiazol-4-ylmethoxy)benzamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)OCC4=CSC=N4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)OCC4=CSC=N4

InChI

InChI=1S/C23H25N3O2S/c27-23(18-7-9-22(10-8-18)28-15-21-16-29-17-25-21)24-13-19-5-1-2-6-20(19)14-26-11-3-4-12-26/h1-2,5-10,16-17H,3-4,11-15H2,(H,24,27)/p+1