3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-[(4-phenylmethoxyphenyl)methyl]azanium chloride

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-[(4-phenylmethoxyphenyl)methyl]azanium chloride Openeye Name: (4-benzyloxyphenyl)methyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium chloride CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-dimethyl-[(4-phenylmethoxyphenyl)methyl]ammonium chloride IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-[(4-phenylmethoxyphenyl)methyl]azanium chloride Traditional Name: (4-benzoxybenzyl)-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium chloride Formula: C31H32Cl2N2OS MolecularWeight: 551.56958

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC=C(C=C4)OCC5=CC=CC=C5.[Cl-]

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC=C(C=C4)OCC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C31H32ClN2OS.ClH/c1-34(2,22-24-13-16-27(17-14-24)35-23-25-9-4-3-5-10-25)20-8-19-33-28-11-6-7-12-30(28)36-31-18-15-26(32)21-29(31)33;/h3-7,9-18,21H,8,19-20,22-23H2,1-2H3;1H/q+1;/p-1