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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [4-(1,3-dithiolan-2-yl)phenyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C19H22N3OS2+ MolecularWeight: 372.52748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C19H21N3OS2/c23-18(15-1-3-16(4-2-15)19-24-13-14-25-19)22-11-9-21(10-12-22)17-5-7-20-8-6-17/h1-8,19H,9-14H2/p+1