(E)-3-(3,4-dichlorophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dichlorophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dichlorophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dichlorophenyl)-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3,4-dichlorophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dichlorophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C14H17Cl2N2O+ MolecularWeight: 300.20358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H16Cl2N2O/c1-17-6-8-18(9-7-17)14(19)5-3-11-2-4-12(15)13(16)10-11/h2-5,10H,6-9H2,1H3/p+1/b5-3+