(2S,3S)-6-methyl-3-(4-methylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3S)-6-methyl-3-(4-methylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-6-methyl-2-phenyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-6-methyl-3-(4-methylphenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-6-methyl-3-(4-methylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-6-methyl-2-phenyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Formula: C25H36NO+ MolecularWeight: 366.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCC(C)C)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](CCC(C)C)([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H35NO/c1-20(2)15-16-25(27,23-13-11-21(3)12-14-23)24(19-26-17-7-8-18-26)22-9-5-4-6-10-22/h4-6,9-14,20,24,27H,7-8,15-19H2,1-3H3/p+1/t24-,25-/m1/s1