4-(1,3-dithiolan-2-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H27N3OS2/c1-16-15-19(25-11-9-24(2)10-12-25)7-8-20(16)23-21(26)17-3-5-18(6-4-17)22-27-13-14-28-22/h3-8,15,22H,9-14H2,1-2H3,(H,23,26)/p+1