5-bromanyl-2-chloranyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-5-bromo-2-chloro-benzamide CAS Name: 5-bromo-2-chloro-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-5-bromo-2-chloro-benzamide Formula: C24H24BrClN3O+ MolecularWeight: 485.82386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C24H23BrClN3O/c25-19-6-11-23(26)22(16-19)24(30)27-20-7-9-21(10-8-20)29-14-12-28(13-15-29)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,30)/p+1