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

Systemtic Name: (3S)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (3S)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (3S)-3-(4-methoxyphenyl)-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (3S)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (3S)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-3-17(19,11-14-18-12-5-4-6-13-18)15-7-9-16(20-2)10-8-15/h7-10,19H,3-6,11-14H2,1-2H3/p+1/t17-/m0/s1