3-chloranyl-4-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]oxy-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]oxy-benzenecarbonitrile Openeye Name: 3-chloro-4-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 3-chloro-4-[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 3-chloro-4-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 3-chloro-4-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C16H21ClN3O2+ MolecularWeight: 322.80984

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)OC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)OC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H20ClN3O2/c1-3-19-6-8-20(9-7-19)16(21)12(2)22-15-5-4-13(11-18)10-14(15)17/h4-5,10,12H,3,6-9H2,1-2H3/p+1/t12-/m0/s1