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

Systemtic Name: [(2R)-2-(3-methoxy-2-oxidanyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(2-hydroxy-3-methoxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(2-hydroxy-3-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(2-hydroxy-3-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(2-hydroxy-3-methoxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C14H25N3O2+2 MolecularWeight: 267.3672

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C[NH3+])C2=C(C(=CC=C2)OC)O

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](C[NH3+])C2=C(C(=CC=C2)OC)O

InChI

InChI=1S/C14H23N3O2/c1-16-6-8-17(9-7-16)12(10-15)11-4-3-5-13(19-2)14(11)18/h3-5,12,18H,6-10,15H2,1-2H3/p+2/t12-/m0/s1