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

Systemtic Name: (2S,3S)-6-methyl-2-phenyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol Openeye Name: (2S,3S)-6-methyl-2-phenyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol CAS Name: (2S,3S)-6-methyl-2-phenyl-1-(1-piperidin-1-iumyl)-3-(4-propoxyphenyl)-3-heptanol IUPAC Name: (2S,3S)-6-methyl-2-phenyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol Traditional Name: (2S,3S)-6-methyl-2-phenyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol Formula: C28H42NO2+ MolecularWeight: 424.63858

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CCC(C)C)(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@](CCC(C)C)([C@H](C[NH+]2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C28H41NO2/c1-4-21-31-26-15-13-25(14-16-26)28(30,18-17-23(2)3)27(24-11-7-5-8-12-24)22-29-19-9-6-10-20-29/h5,7-8,11-16,23,27,30H,4,6,9-10,17-22H2,1-3H3/p+1/t27-,28-/m1/s1