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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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