1-[3-methoxy-4-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone Formula: C17H27N2O4+ MolecularWeight: 323.40728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CN2CC[NH+](CC2)C)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@@H](CN2CC[NH+](CC2)C)O)OC

InChI

InChI=1S/C17H26N2O4/c1-13(20)14-4-5-16(17(10-14)22-3)23-12-15(21)11-19-8-6-18(2)7-9-19/h4-5,10,15,21H,6-9,11-12H2,1-3H3/p+1/t15-/m1/s1