[(1S)-2-[(4-methoxyphenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(4-methoxyphenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-methoxyphenyl)carbamothioylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-methoxyphenyl)carbamothioylamino]-1-pyridin-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-methoxyphenyl)thiocarbamoylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=CC=C(C=C1)OC)C2=CN=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=CC=C(C=C1)OC)C2=CN=CC=C2

InChI

InChI=1S/C17H22N4OS/c1-21(2)16(13-5-4-10-18-11-13)12-19-17(23)20-14-6-8-15(22-3)9-7-14/h4-11,16H,12H2,1-3H3,(H2,19,20,23)/p+1/t16-/m1/s1