[(1S)-2-azaniumyl-1-(3-methoxy-2-propoxy-phenyl)ethyl]-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-methoxy-2-propoxy-phenyl)ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-methoxy-2-propoxy-phenyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-methoxy-2-propoxyphenyl)ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-methoxy-2-propoxyphenyl)ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(3-methoxy-2-propoxy-phenyl)ethyl]-butyl-ethyl-ammonium Formula: C18H34N2O2+2 MolecularWeight: 310.47476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C[NH3+])C1=C(C(=CC=C1)OC)OCCC

Isomeric SMILES

CCCC[NH+](CC)[C@H](C[NH3+])C1=C(C(=CC=C1)OC)OCCC

InChI

InChI=1S/C18H32N2O2/c1-5-8-12-20(7-3)16(14-19)15-10-9-11-17(21-4)18(15)22-13-6-2/h9-11,16H,5-8,12-14,19H2,1-4H3/p+2/t16-/m1/s1