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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-cyclopentyl-azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methyl-cyclopentyl-ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-cyclopentylammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-cyclopentylazanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]-cyclopentyl-ammonium Formula: C16H24BrN2O3+ MolecularWeight: 372.27736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O3/c1-2-21-14-8-11(9-19-12-5-3-4-6-12)7-13(17)16(14)22-10-15(18)20/h7-8,12,19H,2-6,9-10H2,1H3,(H2,18,20)/p+1