dimethyl-[3-[(2-methylphenyl)carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[(2-methylphenyl)carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-(o-tolylcarbamothioylamino)propyl]ammonium CAS Name: dimethyl-[3-[[(2-methylanilino)-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(2-methylphenyl)carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-(o-tolylthiocarbamoylamino)propyl]ammonium Formula: C13H22N3S+ MolecularWeight: 252.39888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C13H21N3S/c1-11-7-4-5-8-12(11)15-13(17)14-9-6-10-16(2)3/h4-5,7-8H,6,9-10H2,1-3H3,(H2,14,15,17)/p+1