1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-4-one

Systemtic Name: 1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-4-one Openeye Name: 1-[(3-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-one CAS Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumone IUPAC Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-one Traditional Name: 1-(3-hydroxy-4-methoxy-benzyl)piperidin-1-ium-4-one Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-17-13-3-2-10(8-12(13)16)9-14-6-4-11(15)5-7-14/h2-3,8,16H,4-7,9H2,1H3/p+1