(3S)-1-morpholin-4-ium-4-yl-3-(4-pentoxyphenyl)hexan-3-ol

Systemtic Name: (3S)-1-morpholin-4-ium-4-yl-3-(4-pentoxyphenyl)hexan-3-ol Openeye Name: (3S)-1-morpholin-4-ium-4-yl-3-(4-pentoxyphenyl)hexan-3-ol CAS Name: (3S)-1-(4-morpholin-4-iumyl)-3-(4-pentoxyphenyl)-3-hexanol IUPAC Name: (3S)-1-morpholin-4-ium-4-yl-3-(4-pentoxyphenyl)hexan-3-ol Traditional Name: (3S)-3-(4-amoxyphenyl)-1-morpholin-4-ium-4-yl-hexan-3-ol Formula: C21H36NO3+ MolecularWeight: 350.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(CCC)(CC[NH+]2CCOCC2)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)[C@](CCC)(CC[NH+]2CCOCC2)O

InChI

InChI=1S/C21H35NO3/c1-3-5-6-16-25-20-9-7-19(8-10-20)21(23,11-4-2)12-13-22-14-17-24-18-15-22/h7-10,23H,3-6,11-18H2,1-2H3/p+1/t21-/m0/s1