(E)-N-(4-chlorophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]but-2-enamide

Systemtic Name: (E)-N-(4-chlorophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]but-2-enamide Openeye Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-N-(4-chlorophenyl)but-2-enamide CAS Name: (E)-N-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-butenamide IUPAC Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-N-(4-chlorophenyl)but-2-enamide Traditional Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-N-(4-chlorophenyl)but-2-enamide Formula: C21H25ClN3O+ MolecularWeight: 370.8957

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=C(C=C1)Cl)/N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O/c1-17(15-21(26)23-20-9-7-19(22)8-10-20)25-13-11-24(12-14-25)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,23,26)/p+1/b17-15+