(5R)-1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: (5R)-1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5R)-1-ethyl-N-(3-furylmethyl)-N-methyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5R)-1-ethyl-N-(3-furanylmethyl)-N-methyl-5-(1-piperidin-1-iumyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5R)-1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5R)-1-ethyl-N-(3-furfuryl)-N-methyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+]3CCCCC3)C(=N1)C(=O)N(C)CC4=COC=C4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+]3CCCCC3)C(=N1)C(=O)N(C)CC4=COC=C4

InChI

InChI=1S/C21H30N4O2/c1-3-25-19-8-7-17(24-10-5-4-6-11-24)13-18(19)20(22-25)21(26)23(2)14-16-9-12-27-15-16/h9,12,15,17H,3-8,10-11,13-14H2,1-2H3/p+1/t17-/m1/s1