[(3S)-1-cyclobutylpiperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone

Systemtic Name: [(3S)-1-cyclobutylpiperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone Openeye Name: [(3S)-1-cyclobutylpiperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone CAS Name: [(3S)-1-cyclobutyl-3-piperidin-1-iumyl]-(4-methoxy-3,5-dimethylphenyl)methanone IUPAC Name: [(3S)-1-cyclobutylpiperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone Traditional Name: [(3S)-1-cyclobutylpiperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone Formula: C19H28NO2+ MolecularWeight: 302.43112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCC[NH+](C2)C3CCC3

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCC[NH+](C2)C3CCC3

InChI

InChI=1S/C19H27NO2/c1-13-10-16(11-14(2)19(13)22-3)18(21)15-6-5-9-20(12-15)17-7-4-8-17/h10-11,15,17H,4-9,12H2,1-3H3/p+1/t15-/m0/s1