(2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-2-phenyl-hexan-3-ol

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-2-phenyl-hexan-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-2-phenyl-hexan-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-3-(4-ethylphenyl)-2-phenyl-3-hexanol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-2-phenylhexan-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-ethylphenyl)-2-phenyl-hexan-3-ol Formula: C26H38NO+ MolecularWeight: 380.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)CC)(C(C[NH+]2CCCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC[C@@](C1=CC=C(C=C1)CC)([C@H](C[NH+]2CCCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C26H37NO/c1-3-18-26(28,24-16-14-22(4-2)15-17-24)25(23-12-8-7-9-13-23)21-27-19-10-5-6-11-20-27/h7-9,12-17,25,28H,3-6,10-11,18-21H2,1-2H3/p+1/t25-,26-/m1/s1