methyl-[[3-[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl]-(quinolin-5-ylmethyl)azanium

Systemtic Name: methyl-[[3-[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl]-(quinolin-5-ylmethyl)azanium Openeye Name: methyl-[[3-[[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]oxy]phenyl]methyl]-(5-quinolylmethyl)ammonium CAS Name: methyl-[[3-[[1-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-4-piperidinyl]oxy]phenyl]methyl]-(5-quinolinylmethyl)ammonium IUPAC Name: methyl-[[3-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]oxyphenyl]methyl]-(quinolin-5-ylmethyl)azanium Traditional Name: methyl-[3-[[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]oxy]benzyl]-(5-quinolylmethyl)ammonium Formula: C33H34N5O2+ MolecularWeight: 532.65536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4)CC5=C6C=CC=NC6=CC=C5

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4)CC5=C6C=CC=NC6=CC=C5

InChI

InChI=1S/C33H33N5O2/c1-36(24-27-7-3-10-32-31(27)9-4-17-34-32)23-25-6-2-8-30(22-25)40-29-15-20-37(21-16-29)33(39)26-11-13-28(14-12-26)38-19-5-18-35-38/h2-14,17-19,22,29H,15-16,20-21,23-24H2,1H3/p+1