ethyl 4-[(3S)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C24H36N5O2+ MolecularWeight: 426.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=C(C=C(C=C3N4C=CC=N4)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=C(C=C(C=C3N4C=CC=N4)C)C

InChI

InChI=1S/C24H35N5O2/c1-4-31-24(30)28-13-11-27(12-14-28)21-7-5-9-26(17-21)18-22-20(3)15-19(2)16-23(22)29-10-6-8-25-29/h6,8,10,15-16,21H,4-5,7,9,11-14,17-18H2,1-3H3/p+1/t21-/m0/s1