(2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-propan-1-one

Systemtic Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-propan-1-one Openeye Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-propan-1-one CAS Name: (2S)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-(10-phenothiazinyl)-1-propanone IUPAC Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-ylpropan-1-one Traditional Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-phenothiazin-10-yl-propan-1-one Formula: C25H25ClN3OS+ MolecularWeight: 451.0035

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C[C@@H](C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H24ClN3OS/c1-18(27-13-15-28(16-14-27)20-8-6-7-19(26)17-20)25(30)29-21-9-2-4-11-23(21)31-24-12-5-3-10-22(24)29/h2-12,17-18H,13-16H2,1H3/p+1/t18-/m0/s1