1-[3-[(Z)-C-methyl-N-oxidanyl-carbonimidoyl]phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride

Systemtic Name: 1-[3-[(Z)-C-methyl-N-oxidanyl-carbonimidoyl]phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride Openeye Name: 1-[3-[2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone oxime chloride CAS Name: 1-[3-[2-hydroxy-3-(4-phenyl-1-piperazin-1-iumyl)propoxy]phenyl]ethanone oxime chloride IUPAC Name: 1-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride Traditional Name: 1-[3-[2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone oxime chloride Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NO)C1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C/C(=N/O)/C1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C21H27N3O3.ClH/c1-17(22-26)18-6-5-9-21(14-18)27-16-20(25)15-23-10-12-24(13-11-23)19-7-3-2-4-8-19;/h2-9,14,20,25-26H,10-13,15-16H2,1H3;1H/b22-17-;