3-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]phenolate

Systemtic Name: 3-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]phenolate Openeye Name: 3-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]phenolate CAS Name: 3-[(1S,2S)-2-(1-methyl-1-pyrrolidin-1-iumyl)cyclohexyl]phenolate IUPAC Name: 3-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]phenolate Traditional Name: 3-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]phenolate Formula: C17H25NO MolecularWeight: 259.3865

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)C2CCCCC2C3=CC(=CC=C3)[O-]

Isomeric SMILES

C[N+]1(CCCC1)[C@H]2CCCC[C@H]2C3=CC(=CC=C3)[O-]

InChI

InChI=1S/C17H25NO/c1-18(11-4-5-12-18)17-10-3-2-9-16(17)14-7-6-8-15(19)13-14/h6-8,13,16-17H,2-5,9-12H2,1H3/t16-,17-/m0/s1