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

Systemtic Name: (3S)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (3S)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (3S)-3-(4-ethoxyphenyl)-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (3S)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (3S)-1-piperidin-1-ium-1-yl-3-p-phenetyl-pentan-3-ol Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC[NH+]1CCCCC1)(C2=CC=C(C=C2)OCC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2/c1-3-18(20,12-15-19-13-6-5-7-14-19)16-8-10-17(11-9-16)21-4-2/h8-11,20H,3-7,12-15H2,1-2H3/p+1/t18-/m0/s1