[(1S)-2-azaniumyl-1-(4-phenethyloxyphenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(4-phenethyloxyphenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-phenethyloxyphenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-phenethyloxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-phenethyloxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(4-phenethyloxyphenyl)ethyl]-butyl-methyl-ammonium Formula: C21H32N2O+2 MolecularWeight: 328.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C[NH3+])C1=CC=C(C=C1)OCCC2=CC=CC=C2

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC=C(C=C1)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O/c1-3-4-15-23(2)21(17-22)19-10-12-20(13-11-19)24-16-14-18-8-6-5-7-9-18/h5-13,21H,3-4,14-17,22H2,1-2H3/p+2/t21-/m1/s1