3-[(3-methoxyphenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-methoxyphenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(3-methoxyphenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3-methoxyphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(3-methoxyphenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H22N3OS+ MolecularWeight: 268.39828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC(=CC=C1)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC(=CC=C1)OC

InChI

InChI=1S/C13H21N3OS/c1-16(2)9-5-8-14-13(18)15-11-6-4-7-12(10-11)17-3/h4,6-7,10H,5,8-9H2,1-3H3,(H2,14,15,18)/p+1