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

Systemtic Name: 1-[(1S)-1-(4-methoxy-3-methyl-phenyl)ethyl]piperidin-1-ium-4-one Openeye Name: 1-[(1S)-1-(4-methoxy-3-methyl-phenyl)ethyl]piperidin-1-ium-4-one CAS Name: 1-[(1S)-1-(4-methoxy-3-methylphenyl)ethyl]-4-piperidin-1-iumone IUPAC Name: 1-[(1S)-1-(4-methoxy-3-methylphenyl)ethyl]piperidin-1-ium-4-one Traditional Name: 1-[(1S)-1-(4-methoxy-3-methyl-phenyl)ethyl]piperidin-1-ium-4-one Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)[NH+]2CCC(=O)CC2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](C)[NH+]2CCC(=O)CC2)OC

InChI

InChI=1S/C15H21NO2/c1-11-10-13(4-5-15(11)18-3)12(2)16-8-6-14(17)7-9-16/h4-5,10,12H,6-9H2,1-3H3/p+1/t12-/m0/s1