[(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methylpentoxy)ethyl]azanium

Systemtic Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methylpentoxy)ethyl]azanium Openeye Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-isohexyloxy-ethyl]ammonium CAS Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methylpentoxy)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(4-methylpentoxy)ethyl]azanium Traditional Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-isohexyloxy-ethyl]ammonium Formula: C16H28NO3+ MolecularWeight: 282.39842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO3/c1-12(2)6-5-9-20-11-14(17)13-7-8-15(18-3)16(10-13)19-4/h7-8,10,12,14H,5-6,9,11,17H2,1-4H3/p+1/t14-/m1/s1