methyl-[[4-[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl]-(quinolin-6-ylmethyl)azanium

Systemtic Name: methyl-[[4-[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl]-(quinolin-6-ylmethyl)azanium Openeye Name: methyl-[[4-[[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]oxy]phenyl]methyl]-(6-quinolylmethyl)ammonium CAS Name: methyl-[[4-[[1-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-4-piperidinyl]oxy]phenyl]methyl]-(6-quinolinylmethyl)ammonium IUPAC Name: methyl-[[4-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]oxyphenyl]methyl]-(quinolin-6-ylmethyl)azanium Traditional Name: methyl-[4-[[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]oxy]benzyl]-(6-quinolylmethyl)ammonium Formula: C33H34N5O2+ MolecularWeight: 532.65536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4)CC5=CC6=C(C=C5)N=CC=C6

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4)CC5=CC6=C(C=C5)N=CC=C6

InChI

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