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

Systemtic Name: (2S,3S)-3-(4-ethylphenyl)-6-methyl-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-3-(4-ethylphenyl)-6-methyl-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-3-(4-ethylphenyl)-6-methyl-2-phenyl-1-(1-piperidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-3-(4-ethylphenyl)-6-methyl-2-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-3-(4-ethylphenyl)-6-methyl-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol Formula: C27H40NO+ MolecularWeight: 394.6126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CCC(C)C)(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](CCC(C)C)([C@H](C[NH+]2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C27H39NO/c1-4-23-13-15-25(16-14-23)27(29,18-17-22(2)3)26(24-11-7-5-8-12-24)21-28-19-9-6-10-20-28/h5,7-8,11-16,22,26,29H,4,6,9-10,17-21H2,1-3H3/p+1/t26-,27-/m1/s1