5-chloranyl-2-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]benzaldehyde

Systemtic Name: 5-chloranyl-2-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]benzaldehyde Openeye Name: 2-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]-5-chloro-benzaldehyde CAS Name: 5-chloro-2-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propoxy]benzaldehyde IUPAC Name: 2-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]-5-chlorobenzaldehyde Traditional Name: 2-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]-5-chloro-benzaldehyde Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=C(C=C(C=C2)Cl)C=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=C(C=C(C=C2)Cl)C=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN2O2/c22-20-7-8-21(19(15-20)17-25)26-14-4-9-23-10-12-24(13-11-23)16-18-5-2-1-3-6-18/h1-3,5-8,15,17H,4,9-14,16H2/p+1