1-adamantylmethyl-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantylmethyl-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl]ammonium Formula: C24H36N3O2+ MolecularWeight: 398.56154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH2+]CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH2+]CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N3O2/c1-17(25-16-24-13-18-10-19(14-24)12-20(11-18)15-24)23(28)26-21-2-4-22(5-3-21)27-6-8-29-9-7-27/h2-5,17-20,25H,6-16H2,1H3,(H,26,28)/p+1/t17-,18?,19?,20?,24?/m1/s1