(2S,3S)-3-(4-butoxyphenyl)-4-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-4-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-4-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-4-methyl-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-4-methyl-2-phenyl-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-4-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C26H38NO2+ MolecularWeight: 396.58542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C(C)C)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@]([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)(C(C)C)O

InChI

InChI=1S/C26H37NO2/c1-4-5-19-29-24-15-13-23(14-16-24)26(28,21(2)3)25(20-27-17-9-10-18-27)22-11-7-6-8-12-22/h6-8,11-16,21,25,28H,4-5,9-10,17-20H2,1-3H3/p+1/t25-,26-/m1/s1