(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenothiazin-10-yl-propan-1-one

Systemtic Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenothiazin-10-yl-propan-1-one Openeye Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenothiazin-10-yl-propan-1-one CAS Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(10-phenothiazinyl)-1-propanone IUPAC Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenothiazin-10-ylpropan-1-one Traditional Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-phenothiazin-10-yl-propan-1-one Formula: C27H26N3OS2+ MolecularWeight: 472.64484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[NH+]4CCC(CC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C[C@@H](C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[NH+]4CCC(CC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H25N3OS2/c1-18(29-16-14-19(15-17-29)26-28-20-8-2-5-11-23(20)33-26)27(31)30-21-9-3-6-12-24(21)32-25-13-7-4-10-22(25)30/h2-13,18-19H,14-17H2,1H3/p+1/t18-/m0/s1