3-(2-chloranylphenothiazin-10-yl)propyl-[(3,4-dimethoxyphenyl)methyl]-dimethyl-azanium

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-[(3,4-dimethoxyphenyl)methyl]-dimethyl-azanium Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-[(3,4-dimethoxyphenyl)methyl]-dimethyl-ammonium CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-[(3,4-dimethoxyphenyl)methyl]-dimethylammonium IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-[(3,4-dimethoxyphenyl)methyl]-dimethylazanium Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-veratryl-ammonium Formula: C26H30ClN2O2S+ MolecularWeight: 470.0466

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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)OC)OC

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H30ClN2O2S/c1-29(2,18-19-10-12-23(30-3)24(16-19)31-4)15-7-14-28-21-8-5-6-9-25(21)32-26-13-11-20(27)17-22(26)28/h5-6,8-13,16-17H,7,14-15,18H2,1-4H3/q+1