N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide Openeye Name: N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide CAS Name: N-[3-oxo-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-(4-pyridin-1-ium-4-ylpiperazino)propyl]adamantane-1-carboxamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O2/c28-21(27-9-7-26(8-10-27)20-1-4-24-5-2-20)3-6-25-22(29)23-14-17-11-18(15-23)13-19(12-17)16-23/h1-2,4-5,17-19H,3,6-16H2,(H,25,29)/p+1