4-[3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propoxy]benzaldehyde

Systemtic Name: 4-[3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propoxy]benzaldehyde Openeye Name: 4-[3-(4-benzylpiperazine-1,4-diium-1-yl)propoxy]benzaldehyde CAS Name: 4-[3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propoxy]benzaldehyde IUPAC Name: 4-[3-(4-benzylpiperazine-1,4-diium-1-yl)propoxy]benzaldehyde Traditional Name: 4-[3-(4-benzylpiperazine-1,4-diium-1-yl)propoxy]benzaldehyde Formula: C21H28N2O2+2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCOC2=CC=C(C=C2)C=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCOC2=CC=C(C=C2)C=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c24-18-20-7-9-21(10-8-20)25-16-4-11-22-12-14-23(15-13-22)17-19-5-2-1-3-6-19/h1-3,5-10,18H,4,11-17H2/p+2