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

Systemtic Name: (3R)-1-(3-pyrazol-1-ylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-(3-pyrazol-1-ylpropyl)-N-(4-thiazol-4-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[3-(1-pyrazolyl)propyl]-N-[4-(4-thiazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-(3-pyrazol-1-ylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(3-pyrazol-1-ylpropyl)-N-(4-thiazol-4-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CCCN2C=CC=N2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

InChI

InChI=1S/C21H25N5OS/c27-21(24-19-7-5-17(6-8-19)20-15-28-16-22-20)18-4-1-10-25(14-18)11-3-13-26-12-2-9-23-26/h2,5-9,12,15-16,18H,1,3-4,10-11,13-14H2,(H,24,27)/p+1/t18-/m1/s1