2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3OS/c1-3-16-9-7-10-17(4-2)22(16)25-21(27)15-26-14-8-12-19(26)23-24-18-11-5-6-13-20(18)28-23/h5-7,9-11,13,19H,3-4,8,12,14-15H2,1-2H3,(H,25,27)/p+1/t19-/m0/s1