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

Systemtic Name: (E)-1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-[4-(1-imidazolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Formula: C21H22BrN4OS+ MolecularWeight: 458.39458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C=CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)/C=C/C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H21BrN4OS/c22-20-7-6-19(28-20)15-24-11-13-25(14-12-24)21(27)8-3-17-1-4-18(5-2-17)26-10-9-23-16-26/h1-10,16H,11-15H2/p+1/b8-3+