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

Systemtic Name: 5-chloranyl-2-[4-[4-(phenylmethyl)piperazin-1-yl]butoxy]benzaldehyde hydrochloride Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)butoxy]-5-chloro-benzaldehyde hydrochloride CAS Name: 5-chloro-2-[4-[4-(phenylmethyl)-1-piperazinyl]butoxy]benzaldehyde hydrochloride IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)butoxy]-5-chlorobenzaldehyde hydrochloride Traditional Name: 2-[4-(4-benzylpiperazino)butoxy]-5-chloro-benzaldehyde hydrochloride Formula: C22H28Cl2N2O2 MolecularWeight: 423.37592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=C(C=C(C=C2)Cl)C=O)CC3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCN1CCCCOC2=C(C=C(C=C2)Cl)C=O)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H27ClN2O2.ClH/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;1H