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

Systemtic Name: (2S,3S)-3-(4-ethylphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-3-(4-ethylphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-3-(4-ethylphenyl)-5-methyl-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-3-(4-ethylphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-3-(4-ethylphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C25H36NO+ MolecularWeight: 366.55944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC(C)C)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](CC(C)C)([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H35NO/c1-4-21-12-14-23(15-13-21)25(27,18-20(2)3)24(19-26-16-8-9-17-26)22-10-6-5-7-11-22/h5-7,10-15,20,24,27H,4,8-9,16-19H2,1-3H3/p+1/t24-,25-/m1/s1