(5S)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: (5S)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-N-(2-furylmethyl)-N,1-dimethyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-N-(2-furanylmethyl)-N,1-dimethyl-5-(1-piperidin-1-iumyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-N-(2-furfuryl)-N,1-dimethyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+]3CCCCC3)C(=N1)C(=O)N(C)CC4=CC=CO4

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH+]3CCCCC3)C(=N1)C(=O)N(C)CC4=CC=CO4

InChI

InChI=1S/C20H28N4O2/c1-22(14-16-7-6-12-26-16)20(25)19-17-13-15(24-10-4-3-5-11-24)8-9-18(17)23(2)21-19/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3/p+1/t15-/m0/s1