3-[[4-[(dimethylazaniumyl)methyl]phenyl]methylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(dimethylazaniumyl)methyl]phenyl]methylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(dimethylammonio)methyl]phenyl]methylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[4-[(dimethylammonio)methyl]phenyl]methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(dimethylazaniumyl)methyl]phenyl]methylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-[(dimethylammonio)methyl]benzyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H30N4S+2 MolecularWeight: 310.5012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NCC1=CC=C(C=C1)C[NH+](C)C

Isomeric SMILES

C[NH+](C)CCCNC(=S)NCC1=CC=C(C=C1)C[NH+](C)C

InChI

InChI=1S/C16H28N4S/c1-19(2)11-5-10-17-16(21)18-12-14-6-8-15(9-7-14)13-20(3)4/h6-9H,5,10-13H2,1-4H3,(H2,17,18,21)/p+2