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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-[2-[[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[2-[[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C17H26BrN4O3+ MolecularWeight: 414.31734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN4O3/c1-11(2)20-15(23)8-19-16(24)9-22(4)10-17(25)21-14-6-5-13(18)7-12(14)3/h5-7,11H,8-10H2,1-4H3,(H,19,24)(H,20,23)(H,21,25)/p+1