(2R)-N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(3-thienylmethyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(1-pyrazolyl)phenyl]-1-(3-thiophenylmethyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(3-thenyl)piperidin-1-ium-2-carboxamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CSC=C4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CSC=C4

InChI

InChI=1S/C20H22N4OS/c25-20(19-4-1-2-11-23(19)14-16-9-13-26-15-16)22-17-5-7-18(8-6-17)24-12-3-10-21-24/h3,5-10,12-13,15,19H,1-2,4,11,14H2,(H,22,25)/p+1/t19-/m1/s1