5-chloranyl-2-[4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butoxy]benzaldehyde

Systemtic Name: 5-chloranyl-2-[4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butoxy]benzaldehyde Openeye Name: 2-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]-5-chloro-benzaldehyde CAS Name: 5-chloro-2-[4-[4-(phenylmethyl)-1-piperazin-1-iumyl]butoxy]benzaldehyde IUPAC Name: 2-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]-5-chlorobenzaldehyde Traditional Name: 2-[4-(4-benzylpiperazin-1-ium-1-yl)butoxy]-5-chloro-benzaldehyde Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCOC2=C(C=C(C=C2)Cl)C=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCCOC2=C(C=C(C=C2)Cl)C=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O2/c23-21-8-9-22(20(16-21)18-26)27-15-5-4-10-24-11-13-25(14-12-24)17-19-6-2-1-3-7-19/h1-3,6-9,16,18H,4-5,10-15,17H2/p+1