(3S)-3-(4-methoxyphenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (3S)-3-(4-methoxyphenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol Openeye Name: (3S)-3-(4-methoxyphenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol CAS Name: (3S)-3-(4-methoxyphenyl)-6-methyl-1-(1-piperidin-1-iumyl)-3-heptanol IUPAC Name: (3S)-3-(4-methoxyphenyl)-6-methyl-1-piperidin-1-ium-1-ylheptan-3-ol Traditional Name: (3S)-3-(4-methoxyphenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol Formula: C20H34NO2+ MolecularWeight: 320.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO2/c1-17(2)11-12-20(22,13-16-21-14-5-4-6-15-21)18-7-9-19(23-3)10-8-18/h7-10,17,22H,4-6,11-16H2,1-3H3/p+1/t20-/m0/s1