2-morpholin-4-ium-4-ylethyl 2-[(5R,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 2-[(5R,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: 2-morpholin-4-ium-4-ylethyl 2-[(5R,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5R,7R)-3-bromo-1-adamantyl]acetic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl 2-[(5R,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5R,7R)-3-bromo-1-adamantyl]acetic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C18H29BrNO3+ MolecularWeight: 387.33176

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C1COCC[NH+]1CCOC(=O)CC23C[C@H]4C[C@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C18H28BrNO3/c19-18-10-14-7-15(11-18)9-17(8-14,13-18)12-16(21)23-6-3-20-1-4-22-5-2-20/h14-15H,1-13H2/p+1/t14-,15-,17?,18?/m1/s1