[(1S)-1-(3-methoxyphenyl)-2-[(phenylmethyl)carbamothioylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3-methoxyphenyl)-2-[(phenylmethyl)carbamothioylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(benzylcarbamothioylamino)-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-methoxyphenyl)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(benzylcarbamothioylamino)-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-(benzylthiocarbamoylamino)-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NCC1=CC=CC=C1)C2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NCC1=CC=CC=C1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C19H25N3OS/c1-22(2)18(16-10-7-11-17(12-16)23-3)14-21-19(24)20-13-15-8-5-4-6-9-15/h4-12,18H,13-14H2,1-3H3,(H2,20,21,24)/p+1/t18-/m1/s1