(3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(3-chloro-4-fluoro-benzothiophen-2-yl)methanone CAS Name: (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-(3-chloro-4-fluoro-benzothiophen-2-yl)methanone Formula: C16H17ClFN2OS+ MolecularWeight: 339.835383

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

Isomeric SMILES

C=CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

InChI

InChI=1S/C16H16ClFN2OS/c1-2-6-19-7-9-20(10-8-19)16(21)15-14(17)13-11(18)4-3-5-12(13)22-15/h2-5H,1,6-10H2/p+1