N-[(2S)-1-methoxypropan-2-yl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[(2S)-1-methoxypropan-2-yl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C14H23N4OS+ MolecularWeight: 295.42362

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

C[C@@H](COC)NC(=S)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C14H22N4OS/c1-12(11-19-2)16-14(20)18-9-7-17(8-10-18)13-5-3-4-6-15-13/h3-6,12H,7-11H2,1-2H3,(H,16,20)/p+1/t12-/m0/s1