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

Systemtic Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitro-1H-pyrazol-5-yl)methanone Openeye Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitro-1H-pyrazol-5-yl)methanone CAS Name: [4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-nitro-1H-pyrazol-5-yl)methanone IUPAC Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitro-1H-pyrazol-5-yl)methanone Traditional Name: (4-m-anisylpiperazin-4-ium-1-yl)-(4-nitro-1H-pyrazol-5-yl)methanone Formula: C16H20N5O4+ MolecularWeight: 346.3611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4/c1-25-13-4-2-3-12(9-13)11-19-5-7-20(8-6-19)16(22)15-14(21(23)24)10-17-18-15/h2-4,9-10H,5-8,11H2,1H3,(H,17,18)/p+1