ethyl 4-[[3-[1-(2-pyrazol-1-ylethanoyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[3-[1-(2-pyrazol-1-ylethanoyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-[[1-(2-pyrazol-1-ylacetyl)-4-piperidyl]oxy]phenyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-[[1-[1-oxo-2-(1-pyrazolyl)ethyl]-4-piperidinyl]oxy]phenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-[[1-(2-pyrazol-1-ylacetyl)-4-piperidyl]oxy]benzyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C24H34N5O4+ MolecularWeight: 456.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)CN4C=CC=N4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)CN4C=CC=N4

InChI

InChI=1S/C24H33N5O4/c1-2-32-24(31)28-15-13-26(14-16-28)18-20-5-3-6-22(17-20)33-21-7-11-27(12-8-21)23(30)19-29-10-4-9-25-29/h3-6,9-10,17,21H,2,7-8,11-16,18-19H2,1H3/p+1