dimethyl-[3-[[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-(1-naphthylmethyl)piperazin-4-ium-1-carbothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[4-(1-naphthylmethyl)piperazin-4-ium-1-carbothioyl]amino]propyl]ammonium Formula: C21H32N4S+2 MolecularWeight: 372.57058

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H30N4S/c1-23(2)12-6-11-22-21(26)25-15-13-24(14-16-25)17-19-9-5-8-18-7-3-4-10-20(18)19/h3-5,7-10H,6,11-17H2,1-2H3,(H,22,26)/p+2