methyl-[[3-[1-(2-pyrazol-1-ylethanoyl)piperidin-4-yl]oxyphenyl]methyl]-(quinolin-5-ylmethyl)azanium

Systemtic Name: methyl-[[3-[1-(2-pyrazol-1-ylethanoyl)piperidin-4-yl]oxyphenyl]methyl]-(quinolin-5-ylmethyl)azanium Openeye Name: methyl-[[3-[[1-(2-pyrazol-1-ylacetyl)-4-piperidyl]oxy]phenyl]methyl]-(5-quinolylmethyl)ammonium CAS Name: methyl-[[3-[[1-[1-oxo-2-(1-pyrazolyl)ethyl]-4-piperidinyl]oxy]phenyl]methyl]-(5-quinolinylmethyl)ammonium IUPAC Name: methyl-[[3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxyphenyl]methyl]-(quinolin-5-ylmethyl)azanium Traditional Name: methyl-[3-[[1-(2-pyrazol-1-ylacetyl)-4-piperidyl]oxy]benzyl]-(5-quinolylmethyl)ammonium Formula: C28H32N5O2+ MolecularWeight: 470.58598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)C(=O)CN3C=CC=N3)CC4=C5C=CC=NC5=CC=C4

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)C(=O)CN3C=CC=N3)CC4=C5C=CC=NC5=CC=C4

InChI

InChI=1S/C28H31N5O2/c1-31(20-23-7-3-10-27-26(23)9-4-13-29-27)19-22-6-2-8-25(18-22)35-24-11-16-32(17-12-24)28(34)21-33-15-5-14-30-33/h2-10,13-15,18,24H,11-12,16-17,19-21H2,1H3/p+1