2-[4-(3-phenothiazin-10-ylpropyl)pyridin-1-ium-1-yl]ethanol bromide

Systemtic Name: 2-[4-(3-phenothiazin-10-ylpropyl)pyridin-1-ium-1-yl]ethanol bromide Openeye Name: 2-[4-(3-phenothiazin-10-ylpropyl)pyridin-1-ium-1-yl]ethanol bromide CAS Name: 2-[4-[3-(10-phenothiazinyl)propyl]-1-pyridin-1-iumyl]ethanol bromide IUPAC Name: 2-[4-(3-phenothiazin-10-ylpropyl)pyridin-1-ium-1-yl]ethanol bromide Traditional Name: 2-[4-(3-phenothiazin-10-ylpropyl)pyridin-1-ium-1-yl]ethanol bromide Formula: C22H23BrN2OS MolecularWeight: 443.39982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCC4=CC=[N+](C=C4)CCO.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCC4=CC=[N+](C=C4)CCO.[Br-]

InChI

InChI=1S/C22H23N2OS.BrH/c25-17-16-23-14-11-18(12-15-23)6-5-13-24-19-7-1-3-9-21(19)26-22-10-4-2-8-20(22)24;/h1-4,7-12,14-15,25H,5-6,13,16-17H2;1H/q+1;/p-1