N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-thienylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-thiophenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-thenyl)piperidin-1-ium-4-carboxamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=CSC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=CSC=C4

InChI

InChI=1S/C20H22N4OS/c25-20(16-5-9-24(10-6-16)13-15-7-11-26-14-15)22-18-3-1-2-17(12-18)19-4-8-21-23-19/h1-4,7-8,11-12,14,16H,5-6,9-10,13H2,(H,21,23)(H,22,25)/p+1