1-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperidin-1-ium-4-one

Systemtic Name: 1-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperidin-1-ium-4-one Openeye Name: 1-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperidin-1-ium-4-one CAS Name: 1-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-iumone IUPAC Name: 1-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperidin-1-ium-4-one Traditional Name: 1-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperidin-1-ium-4-one Formula: C15H22NO+ MolecularWeight: 232.34128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO/c1-11-4-5-14(10-12(11)2)13(3)16-8-6-15(17)7-9-16/h4-5,10,13H,6-9H2,1-3H3/p+1/t13-/m0/s1