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

Systemtic Name: 5-chloranyl-2-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzaldehyde Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]-5-chloro-benzaldehyde CAS Name: 5-chloro-2-[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]benzaldehyde IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]-5-chlorobenzaldehyde Traditional Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]-5-chloro-benzaldehyde Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CCOC3=C(C=C(C=C3)Cl)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CCOC3=C(C=C(C=C3)Cl)C=O

InChI

InChI=1S/C20H23ClN2O2/c21-19-6-7-20(18(14-19)16-24)25-13-12-22-8-10-23(11-9-22)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2/p+1