[2-[[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[(6-methoxy-6-oxo-hexyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[(6-methoxy-6-oxohexyl)carbamothioylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[(6-keto-6-methoxy-hexyl)thiocarbamoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C18H30N3O2S+ MolecularWeight: 352.5147

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H29N3O2S/c1-21(2)14-16-10-7-6-9-15(16)13-20-18(24)19-12-8-4-5-11-17(22)23-3/h6-7,9-10H,4-5,8,11-14H2,1-3H3,(H2,19,20,24)/p+1