(1S)-N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]cyclohex-3-ene-1-carboxamide Formula: C19H27ClN3O+ MolecularWeight: 348.89018

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3CCC=CC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C19H26ClN3O/c1-2-22-10-12-23(13-11-22)18-9-8-16(20)14-17(18)21-19(24)15-6-4-3-5-7-15/h3-4,8-9,14-15H,2,5-7,10-13H2,1H3,(H,21,24)/p+1/t15-/m1/s1