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

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(2-methylphenoxy)phenyl]ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(2-methylphenoxy)phenyl]ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(2-methylphenoxy)phenyl]ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(2-methylphenoxy)phenyl]ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(2-methylphenoxy)phenyl]ethyl]-butyl-ethyl-ammonium Formula: C21H32N2O+2 MolecularWeight: 328.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C[NH3+])C1=CC=C(C=C1)OC2=CC=CC=C2C

Isomeric SMILES

CCCC[NH+](CC)[C@H](C[NH3+])C1=CC=C(C=C1)OC2=CC=CC=C2C

InChI

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