[(1S)-2-azaniumyl-1-(3-propoxyphenyl)ethyl]-dibutyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-propoxyphenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-propoxyphenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-propoxyphenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-propoxyphenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-(3-propoxyphenyl)ethyl]-dibutyl-ammonium Formula: C19H36N2O+2 MolecularWeight: 308.50194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34N2O/c1-4-7-12-21(13-8-5-2)19(16-20)17-10-9-11-18(15-17)22-14-6-3/h9-11,15,19H,4-8,12-14,16,20H2,1-3H3/p+2/t19-/m1/s1