4-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide Formula: C26H26N3O2S+ MolecularWeight: 444.56854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O2S/c1-31-21-14-12-20(13-15-21)27-25(30)19-10-8-18(9-11-19)17-29-16-4-6-23(29)26-28-22-5-2-3-7-24(22)32-26/h2-3,5,7-15,23H,4,6,16-17H2,1H3,(H,27,30)/p+1/t23-/m0/s1