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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-methoxy-4-oxidanyl-phenyl)ethyl]-cyclohexyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-hydroxy-3-methoxy-phenyl)ethyl]-cyclohexyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-hydroxy-3-methoxyphenyl)ethyl]-cyclohexyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-hydroxy-3-methoxyphenyl)ethyl]-cyclohexyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(4-hydroxy-3-methoxy-phenyl)ethyl]-cyclohexyl-ethyl-ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-3-19(14-7-5-4-6-8-14)15(12-18)13-9-10-16(20)17(11-13)21-2/h9-11,14-15,20H,3-8,12,18H2,1-2H3/p+2/t15-/m1/s1