[(2S)-2-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C15H26ClN3O2+2 MolecularWeight: 315.83884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24ClN3O2/c1-3-18-4-6-19(7-5-18)13(10-17)11-8-12(16)15(20)14(9-11)21-2/h8-9,13,20H,3-7,10,17H2,1-2H3/p+2/t13-/m1/s1