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

Systemtic Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(thiazol-4-ylmethoxy)benzamide CAS Name: N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-(4-thiazolylmethoxy)benzamide IUPAC Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-4-(thiazol-4-ylmethoxy)benzamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)OCC4=CSC=N4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)OCC4=CSC=N4

InChI

InChI=1S/C24H27N3O2S/c28-24(19-8-10-23(11-9-19)29-16-22-17-30-18-26-22)25-14-20-6-2-3-7-21(20)15-27-12-4-1-5-13-27/h2-3,6-11,17-18H,1,4-5,12-16H2,(H,25,28)/p+1