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

Systemtic Name: [(2S)-2-(3-chloranyl-4,5-dimethoxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(3-chloro-4,5-dimethoxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(3-chloro-4,5-dimethoxyphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(3-chloro-4,5-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(3-chloro-4,5-dimethoxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C16H28ClN3O2+2 MolecularWeight: 329.86542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClN3O2/c1-4-19-5-7-20(8-6-19)14(11-18)12-9-13(17)16(22-3)15(10-12)21-2/h9-10,14H,4-8,11,18H2,1-3H3/p+2/t14-/m1/s1