1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-3-(3-morpholin-4-ium-4-ylpropyl)urea

Systemtic Name: 1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-3-(3-morpholin-4-ium-4-ylpropyl)urea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(5S,7R)-3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-3-[3-(4-morpholin-4-iumyl)propyl]urea IUPAC Name: 1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-3-(3-morpholin-4-ium-4-ylpropyl)urea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(5S,7R)-3-(p-tolyl)-1-adamantyl]urea Formula: C25H38N3O2+ MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NCCC[NH+]5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)NCCC[NH+]5CCOCC5

InChI

InChI=1S/C25H37N3O2/c1-19-3-5-22(6-4-19)24-14-20-13-21(15-24)17-25(16-20,18-24)27-23(29)26-7-2-8-28-9-11-30-12-10-28/h3-6,20-21H,2,7-18H2,1H3,(H2,26,27,29)/p+1/t20-,21+,24?,25?