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

Systemtic Name: (E)-1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-(5-methyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-(5-methyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-(5-methyl-2-thienyl)prop-2-en-1-one Formula: C17H20BrN2OS2+ MolecularWeight: 412.3875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C17H19BrN2OS2/c1-13-2-3-14(22-13)5-7-17(21)20-10-8-19(9-11-20)12-15-4-6-16(18)23-15/h2-7H,8-12H2,1H3/p+1/b7-5+