methyl 4-[(Z)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[(Z)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate Openeye Name: methyl 4-[(Z)-(4-benzhydrylpiperazin-4-ium-1-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-(4-benzhydrylpiperazin-4-ium-1-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-(4-benzhydrylpiperazin-4-ium-1-yl)iminomethyl]benzoic acid methyl ester Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2/c1-31-26(30)24-14-12-21(13-15-24)20-27-29-18-16-28(17-19-29)25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,20,25H,16-19H2,1H3/p+1/b27-20-