4-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]benzaldehyde

Systemtic Name: 4-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]benzaldehyde Openeye Name: 4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]benzaldehyde CAS Name: 4-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propoxy]benzaldehyde IUPAC Name: 4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]benzaldehyde Traditional Name: 4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]benzaldehyde Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)C=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(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+1