2-acetamido-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-acetamido-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-acetamido-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-acetamido-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-acetamido-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-acetamido-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,3-benzothiazole-6-carboxamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C

InChI

InChI=1S/C17H22N4O2S/c1-3-21-8-4-5-13(21)10-18-16(23)12-6-7-14-15(9-12)24-17(20-14)19-11(2)22/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,18,23)(H,19,20,22)/p+1/t13-/m0/s1