(2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Formula: C25H36NO+ MolecularWeight: 366.55944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO/c1-3-5-17-25(27,23-15-13-21(4-2)14-16-23)24(20-26-18-9-10-19-26)22-11-7-6-8-12-22/h6-8,11-16,24,27H,3-5,9-10,17-20H2,1-2H3/p+1/t24-,25-/m1/s1