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

Systemtic Name: [3,6-bis(chloranyl)-1-benzothiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3,6-dichlorobenzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3,6-dichloro-1-benzothiophen-2-yl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3,6-dichloro-1-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3,6-dichlorobenzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H16Cl2N3OS+ MolecularWeight: 393.31014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3OS/c19-12-4-5-13-14(11-12)25-17(16(13)20)18(24)23-9-7-22(8-10-23)15-3-1-2-6-21-15/h1-6,11H,7-10H2/p+1