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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CSC=N3)CCCN4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CSC=N3)CCCN4C=CC=N4

InChI

InChI=1S/C21H25N5OS/c27-21(24-19-5-1-4-18(14-19)20-15-28-16-22-20)17-6-12-25(13-7-17)9-3-11-26-10-2-8-23-26/h1-2,4-5,8,10,14-17H,3,6-7,9,11-13H2,(H,24,27)/p+1