N-(5-acetamido-2-methoxy-phenyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O3S/c1-14(27)23-15-9-10-19(29-2)17(12-15)24-21(28)13-26-11-5-7-18(26)22-25-16-6-3-4-8-20(16)30-22/h3-4,6,8-10,12,18H,5,7,11,13H2,1-2H3,(H,23,27)(H,24,28)/p+1/t18-/m0/s1