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

Systemtic Name: 5-chloranyl-2-[2-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethoxy]ethoxy]benzaldehyde Openeye Name: 2-[2-[2-(4-benzylpiperazin-1-ium-1-yl)ethoxy]ethoxy]-5-chloro-benzaldehyde CAS Name: 5-chloro-2-[2-[2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethoxy]ethoxy]benzaldehyde IUPAC Name: 2-[2-[2-(4-benzylpiperazin-1-ium-1-yl)ethoxy]ethoxy]-5-chlorobenzaldehyde Traditional Name: 2-[2-[2-(4-benzylpiperazin-1-ium-1-yl)ethoxy]ethoxy]-5-chloro-benzaldehyde Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOCCOC2=C(C=C(C=C2)Cl)C=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOCCOC2=C(C=C(C=C2)Cl)C=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O3/c23-21-6-7-22(20(16-21)18-26)28-15-14-27-13-12-24-8-10-25(11-9-24)17-19-4-2-1-3-5-19/h1-7,16,18H,8-15,17H2/p+1