methyl 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C26H26N3O5+ MolecularWeight: 460.50174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O5/c1-34-26(31)22-16-21(17-23(18-22)29(32)33)25(30)28-14-12-27(13-15-28)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16-18,24H,12-15H2,1H3/p+1