(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4,5-dimethyl-2-furyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4,5-dimethyl-2-furanyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(4,5-dimethyl-2-furyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4)C

InChI

InChI=1S/C22H26N4O2/c1-16-12-21(28-17(16)2)15-25-10-4-6-18(14-25)22(27)24-19-7-3-8-20(13-19)26-11-5-9-23-26/h3,5,7-9,11-13,18H,4,6,10,14-15H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1