butyl-[3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl]-dimethyl-azanium

Systemtic Name: butyl-[3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl]-dimethyl-azanium Openeye Name: butyl-[3-(2-chloro-5-oxo-phenothiazin-10-yl)propyl]-dimethyl-ammonium CAS Name: butyl-[3-(2-chloro-5-oxo-10-phenothiazinyl)propyl]-dimethylammonium IUPAC Name: butyl-[3-(2-chloro-5-oxophenothiazin-10-yl)propyl]-dimethylazanium Traditional Name: butyl-[3-(2-chloro-5-keto-phenothiazin-10-yl)propyl]-dimethyl-ammonium Formula: C21H28ClN2OS+ MolecularWeight: 391.97782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl

Isomeric SMILES

CCCC[N+](C)(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN2OS/c1-4-5-14-24(2,3)15-8-13-23-18-9-6-7-10-20(18)26(25)21-12-11-17(22)16-19(21)23/h6-7,9-12,16H,4-5,8,13-15H2,1-3H3/q+1