N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-[(5-ethyl-2-furanyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-carboxamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C24H30N4O2/c1-4-22-9-10-23(30-22)16-27-13-11-19(12-14-27)24(29)25-20-5-7-21(8-6-20)28-18(3)15-17(2)26-28/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,25,29)/p+1