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

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(4-ethylphenoxy)phenyl]ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(4-ethylphenoxy)phenyl]ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(4-ethylphenoxy)phenyl]ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(4-ethylphenoxy)phenyl]ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(4-ethylphenoxy)phenyl]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)OC2=CC=C(C=C2)CC

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC=C(C=C1)OC2=CC=C(C=C2)CC

InChI

InChI=1S/C21H30N2O/c1-4-6-15-23(3)21(16-22)18-9-13-20(14-10-18)24-19-11-7-17(5-2)8-12-19/h7-14,21H,4-6,15-16,22H2,1-3H3/p+2/t21-/m1/s1