N-[(1S)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethyl]cyclohexanecarboxamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethyl]cyclohexanecarboxamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-[2-(4-morpholin-4-iumyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-(2-morpholin-4-ium-4-ylethylamino)ethyl]cyclohexanecarboxamide Formula: C25H42N3O3+ MolecularWeight: 432.61928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(C(=O)NCC[NH+]2CCOCC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(CC1)C(=O)N[C@H](C(=O)NCC[NH+]2CCOCC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H41N3O3/c29-23(21-4-2-1-3-5-21)27-22(24(30)26-6-7-28-8-10-31-11-9-28)25-15-18-12-19(16-25)14-20(13-18)17-25/h18-22H,1-17H2,(H,26,30)(H,27,29)/p+1/t18?,19?,20?,22-,25?/m1/s1