[(1S)-2-azaniumyl-1-(5-chloranyl-2-ethoxy-phenyl)ethyl]-dipropyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(5-chloranyl-2-ethoxy-phenyl)ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-chloro-2-ethoxy-phenyl)ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-chloro-2-ethoxyphenyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-chloro-2-ethoxyphenyl)ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-(5-chloro-2-ethoxy-phenyl)ethyl]-dipropyl-ammonium Formula: C16H29ClN2O+2 MolecularWeight: 300.86726

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C(C[NH3+])C1=C(C=CC(=C1)Cl)OCC

Isomeric SMILES

CCC[NH+](CCC)[C@H](C[NH3+])C1=C(C=CC(=C1)Cl)OCC

InChI

InChI=1S/C16H27ClN2O/c1-4-9-19(10-5-2)15(12-18)14-11-13(17)7-8-16(14)20-6-3/h7-8,11,15H,4-6,9-10,12,18H2,1-3H3/p+2/t15-/m1/s1