2-(1,3-benzothiazol-2-ylmethoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O2S/c27-22(16-28-17-23-25-20-6-2-3-7-21(20)29-23)24-14-18-8-10-19(11-9-18)15-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-17H2,(H,24,27)/p+1