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

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-5-methyl-2-phenyl-3-(4-propoxyphenyl)hexan-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-5-methyl-2-phenyl-3-(4-propoxyphenyl)hexan-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-5-methyl-2-phenyl-3-(4-propoxyphenyl)-3-hexanol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-5-methyl-2-phenyl-3-(4-propoxyphenyl)hexan-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-5-methyl-2-phenyl-3-(4-propoxyphenyl)hexan-3-ol Formula: C28H42NO2+ MolecularWeight: 424.63858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO2/c1-4-20-31-26-16-14-25(15-17-26)28(30,21-23(2)3)27(24-12-8-7-9-13-24)22-29-18-10-5-6-11-19-29/h7-9,12-17,23,27,30H,4-6,10-11,18-22H2,1-3H3/p+1/t27-,28-/m1/s1