ethyl 4-[(3R)-3-[(1H-indazol-3-ylcarbonylamino)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3R)-3-[(1H-indazol-3-ylcarbonylamino)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3R)-3-[(1H-indazole-3-carbonylamino)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3R)-3-[[[1H-indazol-3-yl(oxo)methyl]amino]methyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-3-[(1H-indazole-3-carbonylamino)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3R)-3-[(1H-indazole-3-carbonylamino)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)CNC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)CNC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C22H31N5O3/c1-2-30-22(29)26-12-9-17(10-13-26)27-11-5-6-16(15-27)14-23-21(28)20-18-7-3-4-8-19(18)24-25-20/h3-4,7-8,16-17H,2,5-6,9-15H2,1H3,(H,23,28)(H,24,25)/p+1/t16-/m1/s1