1-(2-morpholin-4-ium-4-ylethyl)-3-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]urea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]urea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]urea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]urea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]urea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[(5S,7R)-3-phenyl-1-adamantyl]methyl]urea Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)NCC23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)NCC23C[C@H]4C[C@@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C24H35N3O2/c28-22(25-6-7-27-8-10-29-11-9-27)26-18-23-13-19-12-20(14-23)16-24(15-19,17-23)21-4-2-1-3-5-21/h1-5,19-20H,6-18H2,(H2,25,26,28)/p+1/t19-,20+,23?,24?