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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-[2-(3-isopropoxypropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[2-(3-isopropoxypropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C18H29BrN3O3+ MolecularWeight: 415.34516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28BrN3O3/c1-13(2)25-9-5-8-20-17(23)11-22(4)12-18(24)21-16-7-6-15(19)10-14(16)3/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,20,23)(H,21,24)/p+1