diethyl-methyl-(3-phenothiazin-10-ylpropyl)azanium iodide

Systemtic Name: diethyl-methyl-(3-phenothiazin-10-ylpropyl)azanium iodide Openeye Name: diethyl-methyl-(3-phenothiazin-10-ylpropyl)ammonium iodide CAS Name: diethyl-methyl-[3-(10-phenothiazinyl)propyl]ammonium iodide IUPAC Name: diethyl-methyl-(3-phenothiazin-10-ylpropyl)azanium iodide Traditional Name: diethyl-methyl-(3-phenothiazin-10-ylpropyl)ammonium iodide Formula: C20H27IN2S MolecularWeight: 454.41125

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCN1C2=CC=CC=C2SC3=CC=CC=C31.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCCN1C2=CC=CC=C2SC3=CC=CC=C31.[I-]

InChI

InChI=1S/C20H27N2S.HI/c1-4-22(3,5-2)16-10-15-21-17-11-6-8-13-19(17)23-20-14-9-7-12-18(20)21;/h6-9,11-14H,4-5,10,15-16H2,1-3H3;1H/q+1;/p-1