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

Systemtic Name: 4-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]benzaldehyde Openeye Name: 4-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]benzaldehyde CAS Name: 4-[3-(4-phenyl-1-piperazin-1-iumyl)propoxy]benzaldehyde IUPAC Name: 4-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]benzaldehyde Traditional Name: 4-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]benzaldehyde Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c23-17-18-7-9-20(10-8-18)24-16-4-11-21-12-14-22(15-13-21)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2/p+1