3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-(phenanthren-9-ylmethyl)azanium bromide

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-(phenanthren-9-ylmethyl)azanium bromide Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(9-phenanthrylmethyl)ammonium bromide CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-dimethyl-(9-phenanthrenylmethyl)ammonium bromide IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(phenanthren-9-ylmethyl)azanium bromide Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(9-phenanthrylmethyl)ammonium bromide Formula: C32H30BrClN2S MolecularWeight: 590.016

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC5=CC=CC=C5C6=CC=CC=C64.[Br-]

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC5=CC=CC=C5C6=CC=CC=C64.[Br-]

InChI

InChI=1S/C32H30ClN2S.BrH/c1-35(2,22-24-20-23-10-3-4-11-26(23)28-13-6-5-12-27(24)28)19-9-18-34-29-14-7-8-15-31(29)36-32-17-16-25(33)21-30(32)34;/h3-8,10-17,20-21H,9,18-19,22H2,1-2H3;1H/q+1;/p-1