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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-propoxyphenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-propoxyphenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-propoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-propoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3-propoxyphenyl)ethyl]-butyl-methyl-ammonium Formula: C16H30N2O+2 MolecularWeight: 266.4222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O/c1-4-6-10-18(3)16(13-17)14-8-7-9-15(12-14)19-11-5-2/h7-9,12,16H,4-6,10-11,13,17H2,1-3H3/p+2/t16-/m1/s1