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

Systemtic Name: (1S,2S)-1-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(4-butoxyphenyl)-1-(4-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=C(C=C2)OC)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C30H37NO3/c1-3-4-22-34-28-18-14-26(15-19-28)30(32,25-12-16-27(33-2)17-13-25)29(23-31-20-8-9-21-31)24-10-6-5-7-11-24/h5-7,10-19,29,32H,3-4,8-9,20-23H2,1-2H3/p+1/t29-,30+/m1/s1