(3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-chloro-4-fluoro-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-chloro-4-fluoro-1-benzothiophen-2-yl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-chloro-4-fluoro-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H16ClFN3OS+ MolecularWeight: 376.855543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C4=C(C=CC=C4S3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C4=C(C=CC=C4S3)F)Cl

InChI

InChI=1S/C18H15ClFN3OS/c19-16-15-12(20)4-3-5-13(15)25-17(16)18(24)23-10-8-22(9-11-23)14-6-1-2-7-21-14/h1-7H,8-11H2/p+1