(2S,3S)-1-(azepan-1-ium-1-yl)-2-phenyl-3-(4-propoxyphenyl)pentan-3-ol

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-2-phenyl-3-(4-propoxyphenyl)pentan-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-2-phenyl-3-(4-propoxyphenyl)pentan-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-2-phenyl-3-(4-propoxyphenyl)-3-pentanol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-2-phenyl-3-(4-propoxyphenyl)pentan-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-2-phenyl-3-(4-propoxyphenyl)pentan-3-ol Formula: C26H38NO2+ MolecularWeight: 396.58542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC)(C(C[NH+]2CCCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@](CC)([C@H](C[NH+]2CCCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C26H37NO2/c1-3-20-29-24-16-14-23(15-17-24)26(28,4-2)25(22-12-8-7-9-13-22)21-27-18-10-5-6-11-19-27/h7-9,12-17,25,28H,3-6,10-11,18-21H2,1-2H3/p+1/t25-,26-/m1/s1