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

Systemtic Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-ol Openeye Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-ol CAS Name: (1S,2S)-3-(1-azepan-1-iumyl)-1-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-phenyl-1-propanol IUPAC Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-phenylpropan-1-ol Traditional Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-ol Formula: C32H42NO3+ MolecularWeight: 488.68078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@](C2=CC=C(C=C2)OC)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C32H41NO3/c1-3-4-24-36-30-20-16-28(17-21-30)32(34,27-14-18-29(35-2)19-15-27)31(26-12-8-7-9-13-26)25-33-22-10-5-6-11-23-33/h7-9,12-21,31,34H,3-6,10-11,22-25H2,1-2H3/p+1/t31-,32+/m1/s1