[(1S)-2-azaniumyl-1-(2-phenylmethoxyphenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2-phenylmethoxyphenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2-benzyloxyphenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2-phenylmethoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2-phenylmethoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(2-benzoxyphenyl)ethyl]-butyl-methyl-ammonium Formula: C20H30N2O+2 MolecularWeight: 314.465

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C[NH3+])C1=CC=CC=C1OCC2=CC=CC=C2

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC=CC=C1OCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O/c1-3-4-14-22(2)19(15-21)18-12-8-9-13-20(18)23-16-17-10-6-5-7-11-17/h5-13,19H,3-4,14-16,21H2,1-2H3/p+2/t19-/m1/s1