N-[(2S)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]adamantane-1-carboxamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N4O2/c1-16(21(28)27-8-6-26(7-9-27)20-2-4-24-5-3-20)25-22(29)23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,16-19H,6-15H2,1H3,(H,25,29)/p+1/t16-,17?,18?,19?,23?/m0/s1