N-[(2S)-1-oxidanylidene-1-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-oxo-1-[[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]propan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-oxo-1-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]amino]propan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]adamantane-1-carboxamide Formula: C26H38N3O2+ MolecularWeight: 424.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(C1=CC=CC=C1)[NH+]2CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)NC[C@@H](C1=CC=CC=C1)[NH+]2CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37N3O2/c1-18(28-25(31)26-14-19-11-20(15-26)13-21(12-19)16-26)24(30)27-17-23(29-9-5-6-10-29)22-7-3-2-4-8-22/h2-4,7-8,18-21,23H,5-6,9-17H2,1H3,(H,27,30)(H,28,31)/p+1/t18-,19?,20?,21?,23-,26?/m0/s1