[(2R)-2-(3-ethoxy-4-oxidanyl-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(3-ethoxy-4-oxidanyl-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-[4-(2-hydroxyethyl)piperazino]ethyl]ammonium Formula: C16H28N3O3+ MolecularWeight: 310.41182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C[NH3+])N2CCN(CC2)CCO)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C[NH3+])N2CCN(CC2)CCO)O

InChI

InChI=1S/C16H27N3O3/c1-2-22-16-11-13(3-4-15(16)21)14(12-17)19-7-5-18(6-8-19)9-10-20/h3-4,11,14,20-21H,2,5-10,12,17H2,1H3/p+1/t14-/m0/s1