N-[(Z)-1-(4-bromophenyl)-3-oxidanylidene-3-piperazin-4-ium-1-yl-prop-1-en-2-yl]-2-chloranyl-benzamide

Systemtic Name: N-[(Z)-1-(4-bromophenyl)-3-oxidanylidene-3-piperazin-4-ium-1-yl-prop-1-en-2-yl]-2-chloranyl-benzamide Openeye Name: N-[(Z)-2-(4-bromophenyl)-1-(piperazin-4-ium-1-carbonyl)vinyl]-2-chloro-benzamide CAS Name: N-[(Z)-1-(4-bromophenyl)-3-oxo-3-(1-piperazin-4-iumyl)prop-1-en-2-yl]-2-chlorobenzamide IUPAC Name: N-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperazin-4-ium-1-ylprop-1-en-2-yl]-2-chlorobenzamide Traditional Name: N-[(Z)-2-(4-bromophenyl)-1-(piperazin-4-ium-1-carbonyl)vinyl]-2-chloro-benzamide Formula: C20H20BrClN3O2+ MolecularWeight: 449.7487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)/C(=C/C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H19BrClN3O2/c21-15-7-5-14(6-8-15)13-18(20(27)25-11-9-23-10-12-25)24-19(26)16-3-1-2-4-17(16)22/h1-8,13,23H,9-12H2,(H,24,26)/p+1/b18-13-