3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-[(4-methylphenyl)methyl]azanium bromide

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-[(4-methylphenyl)methyl]azanium bromide Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(p-tolylmethyl)ammonium bromide CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-dimethyl-[(4-methylphenyl)methyl]ammonium bromide IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-[(4-methylphenyl)methyl]azanium bromide Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(4-methylbenzyl)ammonium bromide Formula: C25H28BrClN2S MolecularWeight: 503.92522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+](C)(C)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+](C)(C)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C25H28ClN2S.BrH/c1-19-9-11-20(12-10-19)18-28(2,3)16-6-15-27-22-7-4-5-8-24(22)29-25-14-13-21(26)17-23(25)27;/h4-5,7-14,17H,6,15-16,18H2,1-3H3;1H/q+1;/p-1