(1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)-1-(3-methylphenyl)-2-phenoxy-propan-1-ol

Systemtic Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)-1-(3-methylphenyl)-2-phenoxy-propan-1-ol Openeye Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)-1-(m-tolyl)-2-phenoxy-propan-1-ol CAS Name: (1R,2S)-3-(1-azepan-1-iumyl)-1-(4-ethoxyphenyl)-1-(3-methylphenyl)-2-phenoxy-1-propanol IUPAC Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)-1-(3-methylphenyl)-2-phenoxypropan-1-ol Traditional Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(m-tolyl)-2-phenoxy-1-p-phenetyl-propan-1-ol Formula: C30H38NO3+ MolecularWeight: 460.62762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC(=C2)C)(C(C[NH+]3CCCCCC3)OC4=CC=CC=C4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@](C2=CC=CC(=C2)C)([C@H](C[NH+]3CCCCCC3)OC4=CC=CC=C4)O

InChI

InChI=1S/C30H37NO3/c1-3-33-27-18-16-25(17-19-27)30(32,26-13-11-12-24(2)22-26)29(34-28-14-7-6-8-15-28)23-31-20-9-4-5-10-21-31/h6-8,11-19,22,29,32H,3-5,9-10,20-21,23H2,1-2H3/p+1/t29-,30+/m0/s1