(3S)-1-(furan-3-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(furan-3-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(3-furylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(3-furanylmethyl)-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(furan-3-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-furfuryl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC=C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC=C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C20H22N4O2/c25-20(17-4-2-9-23(14-17)13-16-7-11-26-15-16)22-18-5-1-6-19(12-18)24-10-3-8-21-24/h1,3,5-8,10-12,15,17H,2,4,9,13-14H2,(H,22,25)/p+1/t17-/m0/s1