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

Systemtic Name: [(3S)-1-cyclopentylpiperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone Openeye Name: [(3S)-1-cyclopentylpiperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone CAS Name: [(3S)-1-cyclopentyl-3-piperidin-1-iumyl]-(4-methoxy-3,5-dimethylphenyl)methanone IUPAC Name: [(3S)-1-cyclopentylpiperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone Traditional Name: [(3S)-1-cyclopentylpiperidin-1-ium-3-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone Formula: C20H30NO2+ MolecularWeight: 316.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCC[NH+](C2)C3CCCC3

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCC[NH+](C2)C3CCCC3

InChI

InChI=1S/C20H29NO2/c1-14-11-17(12-15(2)20(14)23-3)19(22)16-7-6-10-21(13-16)18-8-4-5-9-18/h11-12,16,18H,4-10,13H2,1-3H3/p+1/t16-/m0/s1