[(2R)-2-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C15H26ClN3O2+2 MolecularWeight: 315.83884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24ClN3O2/c1-3-21-14-9-11(8-12(16)15(14)20)13(10-17)19-6-4-18(2)5-7-19/h8-9,13,20H,3-7,10,17H2,1-2H3/p+2/t13-/m0/s1