sodium 3-(3-ethyl-1-methyl-azepan-3-yl)phenolate

Systemtic Name: sodium 3-(3-ethyl-1-methyl-azepan-3-yl)phenolate Openeye Name: sodium 3-(3-ethyl-1-methyl-azepan-3-yl)phenolate CAS Name: sodium 3-(3-ethyl-1-methyl-3-azepanyl)phenolate IUPAC Name: sodium 3-(3-ethyl-1-methylazepan-3-yl)phenolate Traditional Name: sodium 3-(3-ethyl-1-methyl-azepan-3-yl)phenolate Formula: C15H22NNaO MolecularWeight: 255.33105

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)[O-].[Na+]

Isomeric SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)[O-].[Na+]

InChI

InChI=1S/C15H23NO.Na/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;/q;+1/p-1