methyl-phenethyl-[[3-[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl]azanium

Systemtic Name: methyl-phenethyl-[[3-[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl]azanium Openeye Name: methyl-phenethyl-[[3-[[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]oxy]phenyl]methyl]ammonium CAS Name: methyl-[[3-[[1-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-4-piperidinyl]oxy]phenyl]methyl]-phenethylammonium IUPAC Name: methyl-phenethyl-[[3-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]oxyphenyl]methyl]azanium Traditional Name: methyl-phenethyl-[3-[[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]oxy]benzyl]ammonium Formula: C31H35N4O2+ MolecularWeight: 495.6352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C31H34N4O2/c1-33(20-15-25-7-3-2-4-8-25)24-26-9-5-10-30(23-26)37-29-16-21-34(22-17-29)31(36)27-11-13-28(14-12-27)35-19-6-18-32-35/h2-14,18-19,23,29H,15-17,20-22,24H2,1H3/p+1