[(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxy-phenyl)ethyl]-tert-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxy-phenyl)ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-isopropoxy-3-methoxy-phenyl)ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(4-isopropoxy-3-methoxy-phenyl)ethyl]-tert-butyl-ethyl-ammonium Formula: C18H34N2O2+2 MolecularWeight: 310.47476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2O2/c1-8-20(18(4,5)6)15(12-19)14-9-10-16(22-13(2)3)17(11-14)21-7/h9-11,13,15H,8,12,19H2,1-7H3/p+2/t15-/m1/s1