(3S)-4-methyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)pentan-3-ol

Systemtic Name: (3S)-4-methyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)pentan-3-ol Openeye Name: (3S)-4-methyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)pentan-3-ol CAS Name: (3S)-4-methyl-1-(1-piperidin-1-iumyl)-3-(4-propoxyphenyl)-3-pentanol IUPAC Name: (3S)-4-methyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)pentan-3-ol Traditional Name: (3S)-4-methyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)pentan-3-ol Formula: C20H34NO2+ MolecularWeight: 320.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO2/c1-4-16-23-19-10-8-18(9-11-19)20(22,17(2)3)12-15-21-13-6-5-7-14-21/h8-11,17,22H,4-7,12-16H2,1-3H3/p+1/t20-/m0/s1