[(1S)-2-azaniumyl-1-(3-phenethyloxyphenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-phenethyloxyphenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-phenethyloxyphenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-phenethyloxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-phenethyloxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3-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(=CC=C1)OCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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