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

Systemtic Name: N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(4-pyrazol-1-ylphenyl)-1-(3-thienylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1-pyrazolyl)phenyl]-1-(3-thiophenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(4-pyrazol-1-ylphenyl)-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=C(C=C2)N3C=CC=N3)CC4=CSC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CSC=C4

InChI

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