3-[(2,6-dimethylphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2,6-dimethylphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[(2,6-dimethylphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2,6-dimethylanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[(2,6-dimethylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(2,6-dimethylphenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H30N3S+ MolecularWeight: 356.548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C21H29N3S/c1-17-10-8-11-18(2)20(17)22-21(25)24(15-9-14-23(3)4)16-19-12-6-5-7-13-19/h5-8,10-13H,9,14-16H2,1-4H3,(H,22,25)/p+1