(4-bromophenyl)methyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br)OCC

InChI

InChI=1S/C20H25BrN2O3/c1-4-25-18-11-10-17(12-19(18)26-5-2)22-20(24)14-23(3)13-15-6-8-16(21)9-7-15/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)/p+1