[4-(1,3-dithian-2-yl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(1,3-dithian-2-yl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [4-(1,3-dithian-2-yl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [4-(1,3-dithian-2-yl)phenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(1,3-dithian-2-yl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [4-(1,3-dithian-2-yl)phenyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H23N3OS2/c24-19(16-2-4-17(5-3-16)20-25-14-1-15-26-20)23-12-10-22(11-13-23)18-6-8-21-9-7-18/h2-9,20H,1,10-15H2/p+1