(2S,3S)-5-methyl-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3S)-5-methyl-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-5-methyl-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-5-methyl-2-phenyl-3-(4-propoxyphenyl)-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-5-methyl-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-5-methyl-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C26H38NO2+ MolecularWeight: 396.58542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC(C)C)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@](CC(C)C)([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C26H37NO2/c1-4-18-29-24-14-12-23(13-15-24)26(28,19-21(2)3)25(20-27-16-8-9-17-27)22-10-6-5-7-11-22/h5-7,10-15,21,25,28H,4,8-9,16-20H2,1-3H3/p+1/t25-,26-/m1/s1