2-hydroxyethyl-[(1S)-1-(3-methoxy-2-oxidanyl-phenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-methyl-azanium

Systemtic Name: 2-hydroxyethyl-[(1S)-1-(3-methoxy-2-oxidanyl-phenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-methyl-azanium Openeye Name: 2-hydroxyethyl-[(1S)-1-(2-hydroxy-3-methoxy-phenyl)-2-oxo-2-piperazin-1-yl-ethyl]-methyl-ammonium CAS Name: 2-hydroxyethyl-[(1S)-1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-(1-piperazinyl)ethyl]-methylammonium IUPAC Name: 2-hydroxyethyl-[(1S)-1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-piperazin-1-ylethyl]-methylazanium Traditional Name: 2-hydroxyethyl-[(1S)-1-(2-hydroxy-3-methoxy-phenyl)-2-keto-2-piperazino-ethyl]-methyl-ammonium Formula: C16H26N3O4+ MolecularWeight: 324.39534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)C(C1=C(C(=CC=C1)OC)O)C(=O)N2CCNCC2

Isomeric SMILES

C[NH+](CCO)[C@@H](C1=C(C(=CC=C1)OC)O)C(=O)N2CCNCC2

InChI

InChI=1S/C16H25N3O4/c1-18(10-11-20)14(16(22)19-8-6-17-7-9-19)12-4-3-5-13(23-2)15(12)21/h3-5,14,17,20-21H,6-11H2,1-2H3/p+1/t14-/m0/s1