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

Systemtic Name: 1-benzothiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: benzothiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: 1-benzothiophen-2-yl-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 1-benzothiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: benzothiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H18N3OS+ MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N3OS/c22-18(16-13-14-5-1-2-6-15(14)23-16)21-11-9-20(10-12-21)17-7-3-4-8-19-17/h1-8,13H,9-12H2/p+1