2-[(4-methoxyphenyl)methylcarbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-methoxyphenyl)methylcarbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(4-methoxyphenyl)methylcarbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(4-methoxyphenyl)methylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl(p-anisylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27N3OS/c1-22(2)13-14-23(16-18-7-5-4-6-8-18)20(25)21-15-17-9-11-19(24-3)12-10-17/h4-12H,13-16H2,1-3H3,(H,21,25)/p+1