2-(1-adamantyl)-N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C24H35ClN3O+ MolecularWeight: 417.0072

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C24H34ClN3O/c1-2-27-5-7-28(8-6-27)22-4-3-20(12-21(22)25)26-23(29)16-24-13-17-9-18(14-24)11-19(10-17)15-24/h3-4,12,17-19H,2,5-11,13-16H2,1H3,(H,26,29)/p+1