N-cyclopropyl-N-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide

Systemtic Name: N-cyclopropyl-N-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide Openeye Name: N-cyclopropyl-N-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]thiazole-5-carboxamide CAS Name: N-cyclopropyl-N-[[3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl]-5-thiazolecarboxamide IUPAC Name: N-cyclopropyl-N-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide Traditional Name: N-cyclopropyl-N-[3-(2-piperidin-1-ium-1-ylethoxy)benzyl]thiazole-5-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)CN(C3CC3)C(=O)C4=CN=CS4

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)CN(C3CC3)C(=O)C4=CN=CS4

InChI

InChI=1S/C21H27N3O2S/c25-21(20-14-22-16-27-20)24(18-7-8-18)15-17-5-4-6-19(13-17)26-12-11-23-9-2-1-3-10-23/h4-6,13-14,16,18H,1-3,7-12,15H2/p+1