[4-(1,3-dithiolan-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C20H23N3OS2/c24-19(17-1-3-18(4-2-17)20-25-13-14-26-20)23-11-9-22(10-12-23)15-16-5-7-21-8-6-16/h1-8,20H,9-15H2/p+1