4-[2-[1-[(E)-1-chloranyl-3-phenyl-prop-2-enyl]piperazin-1-ium-1-yl]ethyl]benzaldehyde

Systemtic Name: 4-[2-[1-[(E)-1-chloranyl-3-phenyl-prop-2-enyl]piperazin-1-ium-1-yl]ethyl]benzaldehyde Openeye Name: 4-[2-[1-[(E)-1-chloro-3-phenyl-allyl]piperazin-1-ium-1-yl]ethyl]benzaldehyde CAS Name: 4-[2-[1-[(E)-1-chloro-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]benzaldehyde IUPAC Name: 4-[2-[1-[(E)-1-chloro-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethyl]benzaldehyde Traditional Name: 4-[2-[1-[(E)-1-chloro-3-phenyl-allyl]piperazin-1-ium-1-yl]ethyl]benzaldehyde Formula: C22H26ClN2O+ MolecularWeight: 369.90764

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCC2=CC=C(C=C2)C=O)C(C=CC3=CC=CC=C3)Cl

Isomeric SMILES

C1C[N+](CCN1)(CCC2=CC=C(C=C2)C=O)C(/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H26ClN2O/c23-22(11-10-19-4-2-1-3-5-19)25(16-13-24-14-17-25)15-12-20-6-8-21(18-26)9-7-20/h1-11,18,22,24H,12-17H2/q+1/b11-10+