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

Systemtic Name: (1R,2S)-1-(4-butoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2S)-1-(4-butoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2S)-1-(4-butoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1R,2S)-1-(4-butoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2S)-1-(4-butoxyphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C30H38NO3+ MolecularWeight: 460.62762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C2=CC=CC=C2OC)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@](C2=CC=CC=C2OC)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C30H37NO3/c1-3-4-22-34-26-18-16-25(17-19-26)30(32,27-14-8-9-15-29(27)33-2)28(23-31-20-10-11-21-31)24-12-6-5-7-13-24/h5-9,12-19,28,32H,3-4,10-11,20-23H2,1-2H3/p+1/t28-,30-/m1/s1