[(1R)-2-[(2,3-dimethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(2,3-dimethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(2,3-dimethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1-(2-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(2,3-dimethylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[(2,3-dimethylphenyl)thiocarbamoylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NCC(C2=CC=CC=C2OC)[NH+](C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NC[C@@H](C2=CC=CC=C2OC)[NH+](C)C)C

InChI

InChI=1S/C20H27N3OS/c1-14-9-8-11-17(15(14)2)22-20(25)21-13-18(23(3)4)16-10-6-7-12-19(16)24-5/h6-12,18H,13H2,1-5H3,(H2,21,22,25)/p+1/t18-/m0/s1