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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-chloro-4-hydroxy-5-methoxy-phenyl)ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-(3-chloro-4-hydroxy-5-methoxy-phenyl)ethyl]-dipropyl-ammonium Formula: C15H27ClN2O2+2 MolecularWeight: 302.84008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25ClN2O2/c1-4-6-18(7-5-2)13(10-17)11-8-12(16)15(19)14(9-11)20-3/h8-9,13,19H,4-7,10,17H2,1-3H3/p+2/t13-/m1/s1