3-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide

Systemtic Name: 3-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: 3-phenyl-N-[2-[1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide CAS Name: 3-phenyl-N-[2-[1-(2-thiazolylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: 3-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Traditional Name: 3-phenyl-N-[2-[1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propionamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=NC=CS4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=NC=CS4

InChI

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