N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C19H24BrN3OS+2 MolecularWeight: 422.38236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H22BrN3OS/c1-22-10-12-23(13-11-22)14-19(24)21-16-4-8-18(9-5-16)25-17-6-2-15(20)3-7-17/h2-9H,10-14H2,1H3,(H,21,24)/p+2