(5S,7R)-3-chloranyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]adamantane-1-carboxamide Formula: C22H30ClN4O2+ MolecularWeight: 417.9522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H29ClN4O2/c23-22-12-16-9-17(13-22)11-21(10-16,15-22)20(29)25-14-19(28)27-7-5-26(6-8-27)18-1-3-24-4-2-18/h1-4,16-17H,5-15H2,(H,25,29)/p+1/t16-,17+,21?,22?