cyclooctyl-[(2S)-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: cyclooctyl-[(2S)-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclooctyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]ammonium CAS Name: cyclooctyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]ammonium IUPAC Name: cyclooctyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium Traditional Name: cyclooctyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]ammonium Formula: C21H34NO3+ MolecularWeight: 348.49956

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCC(C[NH2+]C2CCCCCCC2)O)OC

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OC[C@H](C[NH2+]C2CCCCCCC2)O)OC

InChI

InChI=1S/C21H33NO3/c1-3-9-17-12-13-20(21(14-17)24-2)25-16-19(23)15-22-18-10-7-5-4-6-8-11-18/h3,9,12-14,18-19,22-23H,4-8,10-11,15-16H2,1-2H3/p+1/b9-3+/t19-/m0/s1