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

Systemtic Name: [3-bromanyl-5-methoxy-4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl-cyclopentyl-azanium Openeye Name: [3-bromo-5-methoxy-4-[2-(2-methylanilino)-2-oxo-ethoxy]phenyl]methyl-cyclopentyl-ammonium CAS Name: [3-bromo-5-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-cyclopentylammonium IUPAC Name: [3-bromo-5-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-cyclopentylazanium Traditional Name: [3-bromo-4-[2-keto-2-(o-toluidino)ethoxy]-5-methoxy-benzyl]-cyclopentyl-ammonium Formula: C22H28BrN2O3+ MolecularWeight: 448.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2Br)C[NH2+]C3CCCC3)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2Br)C[NH2+]C3CCCC3)OC

InChI

InChI=1S/C22H27BrN2O3/c1-15-7-3-6-10-19(15)25-21(26)14-28-22-18(23)11-16(12-20(22)27-2)13-24-17-8-4-5-9-17/h3,6-7,10-12,17,24H,4-5,8-9,13-14H2,1-2H3,(H,25,26)/p+1