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

Systemtic Name: (5R)-5-(azepan-1-ium-1-yl)-1-ethyl-N-(furan-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5R)-5-(azepan-1-ium-1-yl)-1-ethyl-N-(3-furylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5R)-5-(1-azepan-1-iumyl)-1-ethyl-N-(3-furanylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5R)-5-(azepan-1-ium-1-yl)-1-ethyl-N-(furan-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5R)-5-(azepan-1-ium-1-yl)-1-ethyl-N-(3-furfuryl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+]3CCCCCC3)C(=N1)C(=O)N(C)CC4=COC=C4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+]3CCCCCC3)C(=N1)C(=O)N(C)CC4=COC=C4

InChI

InChI=1S/C22H32N4O2/c1-3-26-20-9-8-18(25-11-6-4-5-7-12-25)14-19(20)21(23-26)22(27)24(2)15-17-10-13-28-16-17/h10,13,16,18H,3-9,11-12,14-15H2,1-2H3/p+1/t18-/m1/s1