N-[(2R)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-2-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-3-methyl-1-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-2-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C25H44N3O2+ MolecularWeight: 418.63576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H43N3O2/c1-17(2)22(23(29)26-8-6-10-28-9-5-4-7-18(28)3)27-24(30)25-14-19-11-20(15-25)13-21(12-19)16-25/h17-22H,4-16H2,1-3H3,(H,26,29)(H,27,30)/p+1/t18-,19?,20?,21?,22+,25?/m0/s1