1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-4-one

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-4-one Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-4-one CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidin-1-iumone IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-4-one Traditional Name: 1-homoveratrylpiperidin-1-ium-4-one Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH+]2CCC(=O)CC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH+]2CCC(=O)CC2)OC

InChI

InChI=1S/C15H21NO3/c1-18-14-4-3-12(11-15(14)19-2)5-8-16-9-6-13(17)7-10-16/h3-4,11H,5-10H2,1-2H3/p+1