(2S)-N-(1-adamantylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1-adamantylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-adamantylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[(1-adamantylamino)-oxomethyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-adamantylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-adamantylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C20H34N3O2+ MolecularWeight: 348.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O2/c1-13-4-3-5-23(12-13)14(2)18(24)21-19(25)22-20-9-15-6-16(10-20)8-17(7-15)11-20/h13-17H,3-12H2,1-2H3,(H2,21,22,24,25)/p+1/t13-,14-,15?,16?,17?,20?/m0/s1