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ethyl sulfate; pentan-3-yl(2-phenothiazin-10-ylpropyl)azanium

ethyl sulfate; pentan-3-yl(2-phenothiazin-10-ylpropyl)azanium

Systemtic Name:ethyl sulfate; pentan-3-yl(2-phenothiazin-10-ylpropyl)azanium
Openeye Name:1-ethylpropyl(2-phenothiazin-10-ylpropyl)ammonium; ethyl sulfate
CAS Name:ethyl sulfate; pentan-3-yl-[2-(10-phenothiazinyl)propyl]ammonium
IUPAC Name:ethyl sulfate; pentan-3-yl(2-phenothiazin-10-ylpropyl)azanium
Traditional Name:1-ethylpropyl(2-phenothiazin-10-ylpropyl)ammonium; ethyl sulfate
Formula: C22H32N2O4S2
MolecularWeight: 452.63048
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC(C)N1C2=CC=CC=C2SC3=CC=CC=C31.CCOS(=O)(=O)[O-]


Isomeric SMILES

CCC(CC)[NH2+]CC(C)N1C2=CC=CC=C2SC3=CC=CC=C31.CCOS(=O)(=O)[O-]


InChI

InChI=1S/C20H26N2S.C2H6O4S/c1-4-16(5-2)21-14-15(3)22-17-10-6-8-12-19(17)23-20-13-9-7-11-18(20)22;1-2-6-7(3,4)5/h6-13,15-16,21H,4-5,14H2,1-3H3;2H2,1H3,(H,3,4,5)


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