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

Systemtic Name: 3-(4-ethoxyphenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol Openeye Name: 3-(4-ethoxyphenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol CAS Name: 3-(4-ethoxyphenyl)-6-methyl-1-(1-piperidin-1-iumyl)-3-heptanol IUPAC Name: 3-(4-ethoxyphenyl)-6-methyl-1-piperidin-1-ium-1-ylheptan-3-ol Traditional Name: 6-methyl-1-piperidin-1-ium-1-yl-3-p-phenetyl-heptan-3-ol Formula: C21H36NO2+ MolecularWeight: 334.51604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CCC(C)C)(CC[NH+]2CCCCC2)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CCC(C)C)(CC[NH+]2CCCCC2)O

InChI

InChI=1S/C21H35NO2/c1-4-24-20-10-8-19(9-11-20)21(23,13-12-18(2)3)14-17-22-15-6-5-7-16-22/h8-11,18,23H,4-7,12-17H2,1-3H3/p+1