(2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-butoxyphenyl)-2-phenyl-nonan-3-ol

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-butoxyphenyl)-2-phenyl-nonan-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-butoxyphenyl)-2-phenyl-nonan-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-3-(4-butoxyphenyl)-2-phenyl-3-nonanol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-butoxyphenyl)-2-phenylnonan-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-butoxyphenyl)-2-phenyl-nonan-3-ol Formula: C31H48NO2+ MolecularWeight: 466.71832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H47NO2/c1-3-5-7-13-22-31(33,28-18-20-29(21-19-28)34-25-6-4-2)30(27-16-11-10-12-17-27)26-32-23-14-8-9-15-24-32/h10-12,16-21,30,33H,3-9,13-15,22-26H2,1-2H3/p+1/t30-,31-/m1/s1