[4-[(3-nitropyrazol-1-yl)methyl]phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-[(3-nitropyrazol-1-yl)methyl]phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-[(3-nitropyrazol-1-yl)methyl]phenyl]methanone CAS Name: [4-[(3-nitro-1-pyrazolyl)methyl]phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[4-[(3-nitropyrazol-1-yl)methyl]phenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[4-[(3-nitropyrazol-1-yl)methyl]phenyl]methanone Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=CC(=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=CC(=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c28-22(25-14-12-24(13-15-25)16-18-4-2-1-3-5-18)20-8-6-19(7-9-20)17-26-11-10-21(23-26)27(29)30/h1-11H,12-17H2/p+1