3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-(2-methylprop-2-enoyloxymethyl)azanium

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-(2-methylprop-2-enoyloxymethyl)azanium Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(2-methylprop-2-enoyloxymethyl)ammonium CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-dimethyl-[(2-methyl-1-oxoprop-2-enoxy)methyl]ammonium IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(2-methylprop-2-enoyloxymethyl)azanium Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-(methacryloyloxymethyl)-dimethyl-ammonium Formula: C22H26ClN2O2S+ MolecularWeight: 417.97204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN2O2S/c1-16(2)22(26)27-15-25(3,4)13-7-12-24-18-8-5-6-9-20(18)28-21-11-10-17(23)14-19(21)24/h5-6,8-11,14H,1,7,12-13,15H2,2-4H3/q+1