[(1R)-2-azaniumyl-1-(5-chloranyl-2-ethoxy-phenyl)ethyl]-bis(2-methylpropyl)azanium

Systemtic Name: [(1R)-2-azaniumyl-1-(5-chloranyl-2-ethoxy-phenyl)ethyl]-bis(2-methylpropyl)azanium Openeye Name: [(1R)-2-azaniumyl-1-(5-chloro-2-ethoxy-phenyl)ethyl]-diisobutyl-ammonium CAS Name: [(1R)-2-ammonio-1-(5-chloro-2-ethoxyphenyl)ethyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(1R)-2-azaniumyl-1-(5-chloro-2-ethoxyphenyl)ethyl]-bis(2-methylpropyl)azanium Traditional Name: [(1R)-2-ammonio-1-(5-chloro-2-ethoxy-phenyl)ethyl]-diisobutyl-ammonium Formula: C18H33ClN2O+2 MolecularWeight: 328.92042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C[NH3+])[NH+](CC(C)C)CC(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)[C@H](C[NH3+])[NH+](CC(C)C)CC(C)C

InChI

InChI=1S/C18H31ClN2O/c1-6-22-18-8-7-15(19)9-16(18)17(10-20)21(11-13(2)3)12-14(4)5/h7-9,13-14,17H,6,10-12,20H2,1-5H3/p+2/t17-/m0/s1