4-(1,3-dithiolan-2-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C22H28N3OS2+ MolecularWeight: 414.60722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3OS2/c26-21(18-6-8-19(9-7-18)22-27-16-17-28-22)23-10-11-24-12-14-25(15-13-24)20-4-2-1-3-5-20/h1-9,22H,10-17H2,(H,23,26)/p+1