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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Formula: C17H24N5O3+ MolecularWeight: 346.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3/c1-13-17(22(23)24)14(2)21(18-13)12-19-8-10-20(11-9-19)15-4-6-16(25-3)7-5-15/h4-7H,8-12H2,1-3H3/p+1