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

Systemtic Name: (1R,2S)-1-(4-ethylphenyl)-1-(3-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2S)-1-(4-ethylphenyl)-1-(m-tolyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2S)-1-(4-ethylphenyl)-1-(3-methylphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1R,2S)-1-(4-ethylphenyl)-1-(3-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2S)-1-(4-ethylphenyl)-1-(m-tolyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C28H34NO+ MolecularWeight: 400.57566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CC(=C2)C)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@](C2=CC=CC(=C2)C)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H33NO/c1-3-23-14-16-25(17-15-23)28(30,26-13-9-10-22(2)20-26)27(21-29-18-7-8-19-29)24-11-5-4-6-12-24/h4-6,9-17,20,27,30H,3,7-8,18-19,21H2,1-2H3/p+1/t27-,28-/m1/s1