[(1S)-2-azaniumyl-1-[4-(3-methylphenoxy)phenyl]ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(3-methylphenoxy)phenyl]ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(3-methylphenoxy)phenyl]ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(3-methylphenoxy)phenyl]ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(3-methylphenoxy)phenyl]ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(3-methylphenoxy)phenyl]ethyl]-butyl-methyl-ammonium Formula: C20H30N2O+2 MolecularWeight: 314.465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O/c1-4-5-13-22(3)20(15-21)17-9-11-18(12-10-17)23-19-8-6-7-16(2)14-19/h6-12,14,20H,4-5,13,15,21H2,1-3H3/p+2/t20-/m1/s1