ethyl 4-[(3S)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(5-methyl-2-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H34N5O2+ MolecularWeight: 412.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=C(C=CC(=C3)C)N4C=CC=N4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=C(C=CC(=C3)C)N4C=CC=N4

InChI

InChI=1S/C23H33N5O2/c1-3-30-23(29)27-14-12-26(13-15-27)21-6-4-10-25(18-21)17-20-16-19(2)7-8-22(20)28-11-5-9-24-28/h5,7-9,11,16,21H,3-4,6,10,12-15,17-18H2,1-2H3/p+1/t21-/m0/s1