[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone

Systemtic Name: [4-(2-methoxyethyl)piperazin-4-ium-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone Openeye Name: [4-(2-methoxyethyl)piperazin-4-ium-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone CAS Name: [4-(2-methoxyethyl)-1-piperazin-4-iumyl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone IUPAC Name: [4-(2-methoxyethyl)piperazin-4-ium-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone Traditional Name: [4-(2-methoxyethyl)piperazin-4-ium-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCN(CC1)C(=O)C2=NNC(=C2)COC3=CC=CC=C3

Isomeric SMILES

COCC[NH+]1CCN(CC1)C(=O)C2=NNC(=C2)COC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O3/c1-24-12-11-21-7-9-22(10-8-21)18(23)17-13-15(19-20-17)14-25-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3,(H,19,20)/p+1