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

Systemtic Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-ol Openeye Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-ol CAS Name: (1R,2S)-3-(1-azepan-1-iumyl)-1-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-phenyl-1-propanol IUPAC Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-phenylpropan-1-ol Traditional Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-ol Formula: C30H38NO2+ MolecularWeight: 444.62822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@](C2=CC=C(C=C2)OC)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C30H37NO2/c1-3-24-13-15-26(16-14-24)30(32,27-17-19-28(33-2)20-18-27)29(25-11-7-6-8-12-25)23-31-21-9-4-5-10-22-31/h6-8,11-20,29,32H,3-5,9-10,21-23H2,1-2H3/p+1/t29-,30-/m1/s1