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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(3-phenoxypropyl)azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-(3-phenoxypropyl)ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-(3-phenoxypropyl)ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-(3-phenoxypropyl)azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-(3-phenoxypropyl)ammonium Formula: C19H24BrN2O2+ MolecularWeight: 392.31006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O2/c1-15-13-16(20)9-10-18(15)21-19(23)14-22(2)11-6-12-24-17-7-4-3-5-8-17/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,21,23)/p+1