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

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-4-methyl-2-phenyl-3-(4-propoxyphenyl)pentan-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-4-methyl-2-phenyl-3-(4-propoxyphenyl)pentan-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-4-methyl-2-phenyl-3-(4-propoxyphenyl)-3-pentanol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-4-methyl-2-phenyl-3-(4-propoxyphenyl)pentan-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-4-methyl-2-phenyl-3-(4-propoxyphenyl)pentan-3-ol Formula: C27H40NO2+ MolecularWeight: 410.612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO2/c1-4-20-30-25-16-14-24(15-17-25)27(29,22(2)3)26(23-12-8-7-9-13-23)21-28-18-10-5-6-11-19-28/h7-9,12-17,22,26,29H,4-6,10-11,18-21H2,1-3H3/p+1/t26-,27-/m1/s1