4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-nitro-benzoate

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-nitro-benzoate Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-3-nitro-benzoate CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-nitrobenzoate IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-3-nitro-benzoate Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O4/c28-24(29)20-11-12-21(22(17-20)27(30)31)25-13-15-26(16-14-25)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2,(H,28,29)