[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[3-(4-methoxyphenoxy)propyl]-methyl-azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[3-(4-methoxyphenoxy)propyl]-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-[3-(4-methoxyphenoxy)propyl]-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[3-(4-methoxyphenoxy)propyl]-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[3-(4-methoxyphenoxy)propyl]-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[3-(4-methoxyphenoxy)propyl]-methyl-ammonium Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CCCOC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CCCOC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H25BrN2O3/c1-15-13-16(21)5-10-19(15)22-20(24)14-23(2)11-4-12-26-18-8-6-17(25-3)7-9-18/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)/p+1