(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Formula: C23H24N3OS+ MolecularWeight: 390.52116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N3OS/c1-15(22(27)18-14-24-19-7-3-2-6-17(18)19)26-12-10-16(11-13-26)23-25-20-8-4-5-9-21(20)28-23/h2-9,14-16,24H,10-13H2,1H3/p+1/t15-/m1/s1