N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C28H43N4O2+ MolecularWeight: 467.66662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H42N4O2/c1-20(2)25(30-27(34)28-17-21-14-22(18-28)16-23(15-21)19-28)26(33)29-8-9-31-10-12-32(13-11-31)24-6-4-3-5-7-24/h3-7,20-23,25H,8-19H2,1-2H3,(H,29,33)(H,30,34)/p+1/t21?,22?,23?,25-,28?/m0/s1