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

Systemtic Name: (3S)-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol Openeye Name: (3S)-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol CAS Name: (3S)-1-(1-piperidin-1-iumyl)-3-(4-propoxyphenyl)-3-heptanol IUPAC Name: (3S)-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol Traditional Name: (3S)-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol Formula: C21H36NO2+ MolecularWeight: 334.51604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC[NH+]1CCCCC1)(C2=CC=C(C=C2)OCCC)O

Isomeric SMILES

CCCC[C@](CC[NH+]1CCCCC1)(C2=CC=C(C=C2)OCCC)O

InChI

InChI=1S/C21H35NO2/c1-3-5-13-21(23,14-17-22-15-7-6-8-16-22)19-9-11-20(12-10-19)24-18-4-2/h9-12,23H,3-8,13-18H2,1-2H3/p+1/t21-/m0/s1