1-[4-[[4-methoxy-3-[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]oxy-phenyl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[4-methoxy-3-[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]oxy-phenyl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[4-methoxy-3-[[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]oxy]phenyl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[4-methoxy-3-[[1-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-4-piperidinyl]oxy]phenyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[4-methoxy-3-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[4-methoxy-3-[[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]oxy]benzyl]piperazin-4-ium-1-yl]ethanone Formula: C29H36N5O4+ MolecularWeight: 518.62724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C29H35N5O4/c1-22(35)32-18-16-31(17-19-32)21-23-4-9-27(37-2)28(20-23)38-26-10-14-33(15-11-26)29(36)24-5-7-25(8-6-24)34-13-3-12-30-34/h3-9,12-13,20,26H,10-11,14-19,21H2,1-2H3/p+1