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

Systemtic Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-propan-1-ol Openeye Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-propan-1-ol CAS Name: (1R,2S)-3-(1-azepan-1-iumyl)-1-(4-butoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-1-propanol IUPAC Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(2-methoxyphenyl)-2-phenylpropan-1-ol Traditional Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(2-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=CC=C2OC)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@](C2=CC=CC=C2OC)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C32H41NO3/c1-3-4-24-36-28-20-18-27(19-21-28)32(34,29-16-10-11-17-31(29)35-2)30(26-14-8-7-9-15-26)25-33-22-12-5-6-13-23-33/h7-11,14-21,30,34H,3-6,12-13,22-25H2,1-2H3/p+1/t30-,32-/m1/s1