(1S,2S)-1-cyclohexyl-1-(4-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-1-cyclohexyl-1-(4-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-cyclohexyl-2-phenyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-cyclohexyl-1-(4-methylphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-cyclohexyl-1-(4-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-cyclohexyl-2-phenyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C26H36NO+ MolecularWeight: 378.57014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CCCCC2)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](C2CCCCC2)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H35NO/c1-21-14-16-24(17-15-21)26(28,23-12-6-3-7-13-23)25(20-27-18-8-9-19-27)22-10-4-2-5-11-22/h2,4-5,10-11,14-17,23,25,28H,3,6-9,12-13,18-20H2,1H3/p+1/t25-,26-/m1/s1