[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-[(5-chloranyl-2-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]-[(5-chloranyl-2-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]-[(5-chloro-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(5-chloro-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]-(5-chloro-2-methoxy-benzyl)-methyl-ammonium Formula: C22H32ClN2O2+ MolecularWeight: 391.95468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C22H31ClN2O2/c1-14(25(2)13-18-9-19(23)4-5-20(18)27-3)21(26)24-22-10-15-6-16(11-22)8-17(7-15)12-22/h4-5,9,14-17H,6-8,10-13H2,1-3H3,(H,24,26)/p+1/t14-,15?,16?,17?,22?/m1/s1