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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-cyclopentyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-[2-(2-methoxyanilino)-2-oxo-ethoxy]phenyl]methyl-cyclopentyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methyl-cyclopentylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methyl-cyclopentylazanium Traditional Name: [3-bromo-5-ethoxy-4-[2-keto-2-(o-anisidino)ethoxy]benzyl]-cyclopentyl-ammonium Formula: C23H30BrN2O4+ MolecularWeight: 478.3993

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCC2)Br)OCC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCC2)Br)OCC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C23H29BrN2O4/c1-3-29-21-13-16(14-25-17-8-4-5-9-17)12-18(24)23(21)30-15-22(27)26-19-10-6-7-11-20(19)28-2/h6-7,10-13,17,25H,3-5,8-9,14-15H2,1-2H3,(H,26,27)/p+1