[(1R)-1-(4-ethylphenyl)-2-[(4-methoxyphenyl)methylcarbamothioylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-ethylphenyl)-2-[(4-methoxyphenyl)methylcarbamothioylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-ethylphenyl)-2-[(4-methoxyphenyl)methylcarbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-ethylphenyl)-2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-ethylphenyl)-2-[(4-methoxyphenyl)methylcarbamothioylamino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-(p-anisylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=S)NCC2=CC=C(C=C2)OC)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=S)NCC2=CC=C(C=C2)OC)[NH+](C)C

InChI

InChI=1S/C21H29N3OS/c1-5-16-6-10-18(11-7-16)20(24(2)3)15-23-21(26)22-14-17-8-12-19(25-4)13-9-17/h6-13,20H,5,14-15H2,1-4H3,(H2,22,23,26)/p+1/t20-/m0/s1