ethyl 4-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H38N5O2+ MolecularWeight: 404.56942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=C(NN=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=C(NN=C3)C4CCCCC4

InChI

InChI=1S/C22H37N5O2/c1-2-29-22(28)27-13-11-26(12-14-27)20-9-6-10-25(17-20)16-19-15-23-24-21(19)18-7-4-3-5-8-18/h15,18,20H,2-14,16-17H2,1H3,(H,23,24)/p+1/t20-/m0/s1