(4-cyclopentylpiperazin-4-ium-1-yl)-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=NNC(=C3)COC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=NNC(=C3)COC4=CC=CC=C4

InChI

InChI=1S/C20H26N4O2/c25-20(24-12-10-23(11-13-24)17-6-4-5-7-17)19-14-16(21-22-19)15-26-18-8-2-1-3-9-18/h1-3,8-9,14,17H,4-7,10-13,15H2,(H,21,22)/p+1