5-chloranyl-2-[4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butoxy]benzaldehyde

Systemtic Name: 5-chloranyl-2-[4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butoxy]benzaldehyde Openeye Name: 2-[4-(4-benzylpiperazine-1,4-diium-1-yl)butoxy]-5-chloro-benzaldehyde CAS Name: 5-chloro-2-[4-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]butoxy]benzaldehyde IUPAC Name: 2-[4-(4-benzylpiperazine-1,4-diium-1-yl)butoxy]-5-chlorobenzaldehyde Traditional Name: 2-[4-(4-benzylpiperazine-1,4-diium-1-yl)butoxy]-5-chloro-benzaldehyde Formula: C22H29ClN2O2+2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCCOC2=C(C=C(C=C2)Cl)C=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](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+2