(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[3,4,6-tris(chloranyl)-1-benzothiophen-2-yl]methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[3,4,6-tris(chloranyl)-1-benzothiophen-2-yl]methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(3,4,6-trichlorobenzothiophen-2-yl)methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-(3,4,6-trichloro-1-benzothiophen-2-yl)methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(3,4,6-trichloro-1-benzothiophen-2-yl)methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-(3,4,6-trichlorobenzothiophen-2-yl)methanone Formula: C18H15Cl3N3OS+ MolecularWeight: 427.7552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl3N3OS/c19-11-9-12(20)15-13(10-11)26-17(16(15)21)18(25)24-7-5-23(6-8-24)14-3-1-2-4-22-14/h1-4,9-10H,5-8H2/p+1