3-[[(2-methoxy-5-methyl-phenyl)methyl-methyl-carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2-methoxy-5-methyl-phenyl)methyl-methyl-carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(2-methoxy-5-methyl-phenyl)methyl-methyl-carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(2-methoxy-5-methylphenyl)methyl-methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2-methoxy-5-methylphenyl)methyl-methylcarbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-methoxy-5-methyl-benzyl)-methyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C16H28N3OS+ MolecularWeight: 310.47802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3OS/c1-13-7-8-15(20-5)14(11-13)12-19(4)16(21)17-9-6-10-18(2)3/h7-8,11H,6,9-10,12H2,1-5H3,(H,17,21)/p+1