2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(4-piperidinophenyl)acetamide Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H28N4OS/c29-23(25-18-10-12-19(13-11-18)27-14-4-1-5-15-27)17-28-16-6-8-21(28)24-26-20-7-2-3-9-22(20)30-24/h2-3,7,9-13,21H,1,4-6,8,14-17H2,(H,25,29)/p+1/t21-/m0/s1