N-cyclopropyl-N-[(1S)-1-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]furan-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[(1S)-1-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]furan-2-carboxamide Openeye Name: N-cyclopropyl-N-[(1S)-1-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]furan-2-carboxamide CAS Name: N-cyclopropyl-N-[(1S)-1-[1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-2-furancarboxamide IUPAC Name: N-cyclopropyl-N-[(1S)-1-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]furan-2-carboxamide Traditional Name: N-cyclopropyl-N-[(1S)-1-[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-2-furamide Formula: C29H39N4O2+ MolecularWeight: 475.64556

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)C(CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CO5)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)[C@H](CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CO5)C

InChI

InChI=1S/C29H38N4O2/c1-4-32-22(3)26(21(2)30-32)20-31-16-14-24(15-17-31)27(19-23-9-6-5-7-10-23)33(25-12-13-25)29(34)28-11-8-18-35-28/h5-11,18,24-25,27H,4,12-17,19-20H2,1-3H3/p+1/t27-/m0/s1