dimethyl-[3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-(2-naphthylsulfonyl)piperazine-1-carbothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-naphthalen-2-ylsulfonylpiperazine-1-carbothioyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[[4-(2-naphthylsulfonyl)piperazine-1-carbothioyl]amino]propyl]ammonium Formula: C20H29N4O2S2+ MolecularWeight: 421.59986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H28N4O2S2/c1-22(2)11-5-10-21-20(27)23-12-14-24(15-13-23)28(25,26)19-9-8-17-6-3-4-7-18(17)16-19/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,21,27)/p+1