(1S,2S)-3-(azepan-1-ium-1-yl)-1,2-diphenyl-1-(4-propoxyphenyl)propan-1-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@](C2=CC=CC=C2)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C30H37NO2/c1-2-23-33-28-19-17-27(18-20-28)30(32,26-15-9-6-10-16-26)29(25-13-7-5-8-14-25)24-31-21-11-3-4-12-22-31/h5-10,13-20,29,32H,2-4,11-12,21-24H2,1H3/p+1/t29-,30+/m1/s1