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

Systemtic Name: [(2R)-2-(3-ethoxy-4-oxidanyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C15H27N3O2+2 MolecularWeight: 281.39378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C[NH3+])N2CC[NH+](CC2)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C[NH3+])N2CC[NH+](CC2)C)O

InChI

InChI=1S/C15H25N3O2/c1-3-20-15-10-12(4-5-14(15)19)13(11-16)18-8-6-17(2)7-9-18/h4-5,10,13,19H,3,6-9,11,16H2,1-2H3/p+2/t13-/m0/s1