(2S,3S)-1-(azepan-1-ium-1-yl)-2-phenyl-3-(4-propoxyphenyl)hex-5-en-3-ol

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-2-phenyl-3-(4-propoxyphenyl)hex-5-en-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-2-phenyl-3-(4-propoxyphenyl)hex-5-en-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-2-phenyl-3-(4-propoxyphenyl)-5-hexen-3-ol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-2-phenyl-3-(4-propoxyphenyl)hex-5-en-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-2-phenyl-3-(4-propoxyphenyl)hex-5-en-3-ol Formula: C27H38NO2+ MolecularWeight: 408.59612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO2/c1-3-18-27(29,24-14-16-25(17-15-24)30-21-4-2)26(23-12-8-7-9-13-23)22-28-19-10-5-6-11-20-28/h3,7-9,12-17,26,29H,1,4-6,10-11,18-22H2,2H3/p+1/t26-,27-/m1/s1