[5-(3-methoxyphenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-(3-methoxyphenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-(3-methoxyphenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-(3-methoxyphenyl)-1-methyl-3-pyrazolyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-(3-methoxyphenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)N2CC[NH2+]CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=CC(=N1)C(=O)N2CC[NH2+]CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C16H20N4O2/c1-19-15(12-4-3-5-13(10-12)22-2)11-14(18-19)16(21)20-8-6-17-7-9-20/h3-5,10-11,17H,6-9H2,1-2H3/p+1