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

Systemtic Name: [(2R)-2-(5-chloranyl-2-ethoxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(5-chloro-2-ethoxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(5-chloro-2-ethoxyphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(5-chloro-2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(5-chloro-2-ethoxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C16H28ClN3O+2 MolecularWeight: 313.86602

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C[NH3+])C2=C(C=CC(=C2)Cl)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClN3O/c1-3-19-7-9-20(10-8-19)15(12-18)14-11-13(17)5-6-16(14)21-4-2/h5-6,11,15H,3-4,7-10,12,18H2,1-2H3/p+2/t15-/m0/s1