[(1S)-2-azaniumyl-1-(5-chloranyl-2-propoxy-phenyl)ethyl]-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(5-chloranyl-2-propoxy-phenyl)ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-chloro-2-propoxy-phenyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-chloro-2-propoxyphenyl)ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-chloro-2-propoxyphenyl)ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(5-chloro-2-propoxy-phenyl)ethyl]-butyl-ethyl-ammonium Formula: C17H31ClN2O+2 MolecularWeight: 314.89384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29ClN2O/c1-4-7-10-20(6-3)16(13-19)15-12-14(18)8-9-17(15)21-11-5-2/h8-9,12,16H,4-7,10-11,13,19H2,1-3H3/p+2/t16-/m1/s1