[3-bromanyl-4-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-5-ethoxy-phenyl]methyl-(2-hydroxyethyl)azanium

Systemtic Name: [3-bromanyl-4-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-5-ethoxy-phenyl]methyl-(2-hydroxyethyl)azanium Openeye Name: [3-bromo-4-[2-(cyclohexylamino)-2-oxo-ethoxy]-5-ethoxy-phenyl]methyl-(2-hydroxyethyl)ammonium CAS Name: [3-bromo-4-[2-(cyclohexylamino)-2-oxoethoxy]-5-ethoxyphenyl]methyl-(2-hydroxyethyl)ammonium IUPAC Name: [3-bromo-4-[2-(cyclohexylamino)-2-oxoethoxy]-5-ethoxyphenyl]methyl-(2-hydroxyethyl)azanium Traditional Name: [3-bromo-4-[2-(cyclohexylamino)-2-keto-ethoxy]-5-ethoxy-benzyl]-(2-hydroxyethyl)ammonium Formula: C19H30BrN2O4+ MolecularWeight: 430.3565

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC(=O)NC2CCCCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC(=O)NC2CCCCC2

InChI

InChI=1S/C19H29BrN2O4/c1-2-25-17-11-14(12-21-8-9-23)10-16(20)19(17)26-13-18(24)22-15-6-4-3-5-7-15/h10-11,15,21,23H,2-9,12-13H2,1H3,(H,22,24)/p+1