(1S,2S)-1-(4-methoxyphenyl)-2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-1-(4-methoxyphenyl)-2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(4-methoxyphenyl)-2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-methoxyphenyl)-2-phenyl-1-(4-propoxyphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-methoxyphenyl)-2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(4-methoxyphenyl)-2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C29H36NO3+ MolecularWeight: 446.60104

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@](C2=CC=C(C=C2)OC)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H35NO3/c1-3-21-33-27-17-13-25(14-18-27)29(31,24-11-15-26(32-2)16-12-24)28(22-30-19-7-8-20-30)23-9-5-4-6-10-23/h4-6,9-18,28,31H,3,7-8,19-22H2,1-2H3/p+1/t28-,29+/m1/s1