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

Systemtic Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-piperidin-1-ium-1-yl-propionamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH+]4CCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3OS/c1-16(25-13-5-2-6-14-25)22(26)23-18-11-9-17(10-12-18)15-21-24-19-7-3-4-8-20(19)27-21/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,23,26)/p+1/t16-/m1/s1