1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propyl]phenothiazin-2-yl]ethanone

Systemtic Name: 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propyl]phenothiazin-2-yl]ethanone Openeye Name: 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propyl]phenothiazin-2-yl]ethanone CAS Name: 1-[10-[3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]propyl]-2-phenothiazinyl]ethanone IUPAC Name: 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propyl]phenothiazin-2-yl]ethanone Traditional Name: 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propyl]phenothiazin-2-yl]ethanone Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC[NH+]4CCN(CC4)CCO

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC[NH+]4CCN(CC4)CCO

InChI

InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3/p+1