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

Systemtic Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-N-phenyl-propanamide Openeye Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-N-phenyl-propanamide CAS Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-ethyl-N-phenylpropanamide IUPAC Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-N-phenylpropanamide Traditional Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-N-phenyl-propionamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3OS/c1-3-26(19-9-5-4-6-10-19)23(27)17(2)25-15-13-18(14-16-25)22-24-20-11-7-8-12-21(20)28-22/h4-12,17-18H,3,13-16H2,1-2H3/p+1/t17-/m0/s1