3-(3-ethyl-1-methyl-azepan-3-yl)phenol; methanesulfonic acid

Systemtic Name: 3-(3-ethyl-1-methyl-azepan-3-yl)phenol; methanesulfonic acid Openeye Name: 3-(3-ethyl-1-methyl-azepan-3-yl)phenol; methanesulfonic acid CAS Name: 3-(3-ethyl-1-methyl-3-azepanyl)phenol; methanesulfonic acid IUPAC Name: 3-(3-ethyl-1-methylazepan-3-yl)phenol; methanesulfonic acid Traditional Name: 3-(3-ethyl-1-methyl-azepan-3-yl)phenol; mesylic acid Formula: C16H27NO4S MolecularWeight: 329.45488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O.CS(=O)(=O)O

Isomeric SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O.CS(=O)(=O)O

InChI

InChI=1S/C15H23NO.CH4O3S/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13;1-5(2,3)4/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H3,(H,2,3,4)