[(1S)-3-azaniumyl-1-(3-methoxy-2-oxidanyl-phenyl)propyl]-cyclohexyl-methyl-azanium

Systemtic Name: [(1S)-3-azaniumyl-1-(3-methoxy-2-oxidanyl-phenyl)propyl]-cyclohexyl-methyl-azanium Openeye Name: [(1S)-3-azaniumyl-1-(2-hydroxy-3-methoxy-phenyl)propyl]-cyclohexyl-methyl-ammonium CAS Name: [(1S)-3-ammonio-1-(2-hydroxy-3-methoxyphenyl)propyl]-cyclohexyl-methylammonium IUPAC Name: [(1S)-3-azaniumyl-1-(2-hydroxy-3-methoxyphenyl)propyl]-cyclohexyl-methylazanium Traditional Name: [(1S)-3-ammonio-1-(2-hydroxy-3-methoxy-phenyl)propyl]-cyclohexyl-methyl-ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCCC1)C(CC[NH3+])C2=C(C(=CC=C2)OC)O

Isomeric SMILES

C[NH+](C1CCCCC1)[C@@H](CC[NH3+])C2=C(C(=CC=C2)OC)O

InChI

InChI=1S/C17H28N2O2/c1-19(13-7-4-3-5-8-13)15(11-12-18)14-9-6-10-16(21-2)17(14)20/h6,9-10,13,15,20H,3-5,7-8,11-12,18H2,1-2H3/p+2/t15-/m0/s1