(2S)-N-(1-adamantylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1-adamantylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-adamantylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[(1-adamantylamino)-oxomethyl]-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-adamantylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-adamantylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)[C@@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H35N3O2/c1-13-4-14(2)12-24(11-13)15(3)19(25)22-20(26)23-21-8-16-5-17(9-21)7-18(6-16)10-21/h13-18H,4-12H2,1-3H3,(H2,22,23,25,26)/p+1/t13-,14-,15-,16?,17?,18?,21?/m0/s1