[(1R)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-1-(4-ethylphenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[(2,5-dimethylphenyl)thiocarbamoylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-ammonium Formula: C21H30N3S+ MolecularWeight: 356.548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=S)NC2=C(C=CC(=C2)C)C)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=S)NC2=C(C=CC(=C2)C)C)[NH+](C)C

InChI

InChI=1S/C21H29N3S/c1-6-17-9-11-18(12-10-17)20(24(4)5)14-22-21(25)23-19-13-15(2)7-8-16(19)3/h7-13,20H,6,14H2,1-5H3,(H2,22,23,25)/p+1/t20-/m0/s1