[(1R)-2-azaniumyl-1-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)ethyl]-bis(2-methylpropyl)azanium

Systemtic Name: [(1R)-2-azaniumyl-1-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)ethyl]-bis(2-methylpropyl)azanium Openeye Name: [(1R)-2-azaniumyl-1-(3-chloro-4-hydroxy-5-methoxy-phenyl)ethyl]-diisobutyl-ammonium CAS Name: [(1R)-2-ammonio-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(1R)-2-azaniumyl-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethyl]-bis(2-methylpropyl)azanium Traditional Name: [(1R)-2-ammonio-1-(3-chloro-4-hydroxy-5-methoxy-phenyl)ethyl]-diisobutyl-ammonium Formula: C17H31ClN2O2+2 MolecularWeight: 330.89324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC(C)C)C(C[NH3+])C1=CC(=C(C(=C1)Cl)O)OC

Isomeric SMILES

CC(C)C[NH+](CC(C)C)[C@@H](C[NH3+])C1=CC(=C(C(=C1)Cl)O)OC

InChI

InChI=1S/C17H29ClN2O2/c1-11(2)9-20(10-12(3)4)15(8-19)13-6-14(18)17(21)16(7-13)22-5/h6-7,11-12,15,21H,8-10,19H2,1-5H3/p+2/t15-/m0/s1