[3-bromanyl-5-ethoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-cyclopentyl-azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-cyclopentyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-cyclopentyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-cyclopentylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-cyclopentylazanium Traditional Name: [3-bromo-5-ethoxy-4-[2-keto-2-(phenethylamino)ethoxy]benzyl]-cyclopentyl-ammonium Formula: C24H32BrN2O3+ MolecularWeight: 476.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCC2)Br)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCC2)Br)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H31BrN2O3/c1-2-29-22-15-19(16-27-20-10-6-7-11-20)14-21(25)24(22)30-17-23(28)26-13-12-18-8-4-3-5-9-18/h3-5,8-9,14-15,20,27H,2,6-7,10-13,16-17H2,1H3,(H,26,28)/p+1