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

Systemtic Name: 1-[(3R)-3-phenylbutyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3R)-3-phenylbutyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3R)-3-phenylbutyl]-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3R)-3-phenylbutyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3R)-3-phenylbutyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CSC=N3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC[NH+]1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CSC=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-19(20-6-3-2-4-7-20)10-13-28-14-11-21(12-15-28)25(29)27-23-9-5-8-22(16-23)24-17-30-18-26-24/h2-9,16-19,21H,10-15H2,1H3,(H,27,29)/p+1/t19-/m1/s1