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

Systemtic Name: dimethyl-[(1S)-2-[(phenylmethyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]azanium Openeye Name: [(1S)-2-(benzylcarbamothioylamino)-1-(3-pyridyl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]ammonium IUPAC Name: [(1S)-2-(benzylcarbamothioylamino)-1-pyridin-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-(benzylthiocarbamoylamino)-1-(3-pyridyl)ethyl]-dimethyl-ammonium Formula: C17H23N4S+ MolecularWeight: 315.45632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4S/c1-21(2)16(15-9-6-10-18-12-15)13-20-17(22)19-11-14-7-4-3-5-8-14/h3-10,12,16H,11,13H2,1-2H3,(H2,19,20,22)/p+1/t16-/m1/s1