(E)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-3-(2-thienyl)prop-2-en-1-one Formula: C18H20ClN2OS+ MolecularWeight: 347.8822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C18H19ClN2OS/c19-16-4-1-3-15(13-16)14-20-8-10-21(11-9-20)18(22)7-6-17-5-2-12-23-17/h1-7,12-13H,8-11,14H2/p+1/b7-6+