1-(3-methylbutyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(3-methylbutyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-isopentyl-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(3-methylbutyl)-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(3-methylbutyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-isoamyl-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CSC=N3

Isomeric SMILES

CC(C)CC[NH+]1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CSC=N3

InChI

InChI=1S/C20H27N3OS/c1-15(2)6-9-23-10-7-16(8-11-23)20(24)22-18-5-3-4-17(12-18)19-13-25-14-21-19/h3-5,12-16H,6-11H2,1-2H3,(H,22,24)/p+1