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

Systemtic Name: N-[[(2S)-oxolan-2-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: 4-pyridin-1-ium-2-yl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide CAS Name: N-[[(2S)-2-oxolanyl]methyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-[[(2S)-oxolan-2-yl]methyl]-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: 4-pyridin-1-ium-2-yl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide Formula: C15H23N4OS+ MolecularWeight: 307.43432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1C[C@H](OC1)CNC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H22N4OS/c21-15(17-12-13-4-3-11-20-13)19-9-7-18(8-10-19)14-5-1-2-6-16-14/h1-2,5-6,13H,3-4,7-12H2,(H,17,21)/p+1/t13-/m0/s1