4-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde Openeye Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]benzaldehyde CAS Name: 4-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]benzaldehyde IUPAC Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethoxy]benzaldehyde Traditional Name: 4-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethoxy]benzaldehyde Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)C=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)C=O

InChI

InChI=1S/C26H26N2O3/c29-19-21-11-13-24(14-12-21)31-20-25(30)27-15-17-28(18-16-27)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19,26H,15-18,20H2/p+1