(2S)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-azocan-1-iumyl)-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol Formula: C20H32NO3+ MolecularWeight: 334.47298

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCCC2)O)OC

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OC[C@H](C[NH+]2CCCCCCC2)O)OC

InChI

InChI=1S/C20H31NO3/c1-3-9-17-10-11-19(20(14-17)23-2)24-16-18(22)15-21-12-7-5-4-6-8-13-21/h3,9-11,14,18,22H,4-8,12-13,15-16H2,1-2H3/p+1/b9-3+/t18-/m0/s1