2-bromanyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 2-bromanyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-bromo-benzaldehyde CAS Name: 2-bromo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-bromobenzaldehyde Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-bromo-benzaldehyde Formula: C18H20BrN2O+ MolecularWeight: 360.2682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O/c19-18-12-17(7-6-16(18)14-22)21-10-8-20(9-11-21)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2/p+1