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

Systemtic Name: dimethyl-[3-[(phenylmethyl)carbamothioylamino]propyl]azanium Openeye Name: 3-(benzylcarbamothioylamino)propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: 3-(benzylcarbamothioylamino)propyl-dimethylazanium Traditional Name: 3-(benzylthiocarbamoylamino)propyl-dimethyl-ammonium Formula: C13H22N3S+ MolecularWeight: 252.39888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3S/c1-16(2)10-6-9-14-13(17)15-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H2,14,15,17)/p+1