dimethyl-[(1S)-2-(3-phenothiazin-10-ylpropanoylamino)-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-(3-phenothiazin-10-ylpropanoylamino)-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-(3-phenothiazin-10-ylpropanoylamino)-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-3-(10-phenothiazinyl)propyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-(3-phenothiazin-10-ylpropanoylamino)-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-(3-phenothiazin-10-ylpropanoylamino)-1-phenyl-ethyl]ammonium Formula: C25H28N3OS+ MolecularWeight: 418.57432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCN1C2=CC=CC=C2SC3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCN1C2=CC=CC=C2SC3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3OS/c1-27(2)22(19-10-4-3-5-11-19)18-26-25(29)16-17-28-20-12-6-8-14-23(20)30-24-15-9-7-13-21(24)28/h3-15,22H,16-18H2,1-2H3,(H,26,29)/p+1/t22-/m1/s1