3-(4-ethylphenyl)-5-methyl-1-morpholin-4-ium-4-yl-2-phenyl-hexan-3-ol

Systemtic Name: 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-ium-4-yl-2-phenyl-hexan-3-ol Openeye Name: 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-ium-4-yl-2-phenyl-hexan-3-ol CAS Name: 3-(4-ethylphenyl)-5-methyl-1-(4-morpholin-4-iumyl)-2-phenyl-3-hexanol IUPAC Name: 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol Traditional Name: 3-(4-ethylphenyl)-5-methyl-1-morpholin-4-ium-4-yl-2-phenyl-hexan-3-ol Formula: C25H36NO2+ MolecularWeight: 382.55884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC(C)C)(C(C[NH+]2CCOCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(CC(C)C)(C(C[NH+]2CCOCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H35NO2/c1-4-21-10-12-23(13-11-21)25(27,18-20(2)3)24(22-8-6-5-7-9-22)19-26-14-16-28-17-15-26/h5-13,20,24,27H,4,14-19H2,1-3H3/p+1