[(1S)-2-azaniumyl-1-(3-chloranyl-4,5-diethoxy-phenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-chloranyl-4,5-diethoxy-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-chloro-4,5-diethoxy-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-chloro-4,5-diethoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-chloro-4,5-diethoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3-chloro-4,5-diethoxy-phenyl)ethyl]-butyl-methyl-ammonium Formula: C17H31ClN2O2+2 MolecularWeight: 330.89324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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