butyl-dimethyl-(1-phenothiazin-10-ylpropan-2-yl)azanium iodide

Systemtic Name: butyl-dimethyl-(1-phenothiazin-10-ylpropan-2-yl)azanium iodide Openeye Name: butyl-dimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)ammonium iodide CAS Name: butyl-dimethyl-[1-(10-phenothiazinyl)propan-2-yl]ammonium iodide IUPAC Name: butyl-dimethyl-(1-phenothiazin-10-ylpropan-2-yl)azanium iodide Traditional Name: butyl-dimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)ammonium iodide Formula: C21H29IN2S MolecularWeight: 468.43783

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31.[I-]

Isomeric SMILES

CCCC[N+](C)(C)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31.[I-]

InChI

InChI=1S/C21H29N2S.HI/c1-5-6-15-23(3,4)17(2)16-22-18-11-7-9-13-20(18)24-21-14-10-8-12-19(21)22;/h7-14,17H,5-6,15-16H2,1-4H3;1H/q+1;/p-1