3-bromanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 3-bromanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-bromo-benzamide CAS Name: 3-bromo-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-bromobenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-bromo-benzamide Formula: C24H25BrN3O+ MolecularWeight: 451.3788

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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=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN3O/c25-21-8-4-7-20(17-21)24(29)26-22-9-11-23(12-10-22)28-15-13-27(14-16-28)18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2,(H,26,29)/p+1