4-bromanyl-N-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]benzamide Formula: C21H24BrClN3O2+ MolecularWeight: 465.79116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O2/c22-18-6-4-17(5-7-18)21(28)24-9-8-20(27)26-12-10-25(11-13-26)15-16-2-1-3-19(23)14-16/h1-7,14H,8-13,15H2,(H,24,28)/p+1