(E)-1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Formula: C18H20BrN2OS+ MolecularWeight: 392.3332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H19BrN2OS/c19-17-8-7-16(23-17)14-20-10-12-21(13-11-20)18(22)9-6-15-4-2-1-3-5-15/h1-9H,10-14H2/p+1/b9-6+