4-carbamothioyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide

Systemtic Name: 4-carbamothioyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide Openeye Name: 4-carbamothioyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide CAS Name: 4-carbamothioyl-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]benzamide IUPAC Name: 4-carbamothioyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-thiocarbamoyl-benzamide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C15H21N3OS/c1-2-18-9-3-4-13(18)10-17-15(19)12-7-5-11(6-8-12)14(16)20/h5-8,13H,2-4,9-10H2,1H3,(H2,16,20)(H,17,19)/p+1/t13-/m0/s1