[(1S)-2-azaniumyl-1-[4-(2,5-dimethylphenoxy)phenyl]ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(2,5-dimethylphenoxy)phenyl]ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(2,5-dimethylphenoxy)phenyl]ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(2,5-dimethylphenoxy)phenyl]ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(2,5-dimethylphenoxy)phenyl]ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(2,5-dimethylphenoxy)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=C(C=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O/c1-5-6-13-23(4)20(15-22)18-9-11-19(12-10-18)24-21-14-16(2)7-8-17(21)3/h7-12,14,20H,5-6,13,15,22H2,1-4H3/p+2/t20-/m1/s1