[(1S)-2-azaniumyl-1-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)ethyl]-dipropyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-chloro-5-ethoxy-4-methoxy-phenyl)ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-chloro-5-ethoxy-4-methoxyphenyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-chloro-5-ethoxy-4-methoxyphenyl)ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-(3-chloro-5-ethoxy-4-methoxy-phenyl)ethyl]-dipropyl-ammonium Formula: C17H31ClN2O2+2 MolecularWeight: 330.89324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29ClN2O2/c1-5-8-20(9-6-2)15(12-19)13-10-14(18)17(21-4)16(11-13)22-7-3/h10-11,15H,5-9,12,19H2,1-4H3/p+2/t15-/m1/s1