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

Systemtic Name: 3-phenoxy-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: 3-phenoxy-N-[2-[1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide CAS Name: 3-phenoxy-N-[2-[1-(2-thiazolylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: 3-phenoxy-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Traditional Name: 3-phenoxy-N-[2-[1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propionamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CC4=NC=CS4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CC4=NC=CS4

InChI

InChI=1S/C21H25N5O2S/c27-20(9-14-28-18-4-2-1-3-5-18)24-19-6-10-23-26(19)17-7-12-25(13-8-17)16-21-22-11-15-29-21/h1-6,10-11,15,17H,7-9,12-14,16H2,(H,24,27)/p+1