dimethyl-[3-[(4-methylphenyl)carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-methylphenyl)carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-(p-tolylcarbamothioylamino)propyl]ammonium CAS Name: dimethyl-[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-methylphenyl)carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-(p-tolylthiocarbamoylamino)propyl]ammonium Formula: C13H22N3S+ MolecularWeight: 252.39888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C13H21N3S/c1-11-5-7-12(8-6-11)15-13(17)14-9-4-10-16(2)3/h5-8H,4,9-10H2,1-3H3,(H2,14,15,17)/p+1