(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-ethanoylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propionamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O2S/c1-15(22(28)24-19-7-5-6-18(14-19)16(2)27)26-12-10-17(11-13-26)23-25-20-8-3-4-9-21(20)29-23/h3-9,14-15,17H,10-13H2,1-2H3,(H,24,28)/p+1/t15-/m1/s1