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

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]-[2-(2-furylmethylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl]-[2-(2-furanylmethylamino)-2-oxoethyl]-methylammonium IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl]-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]-[2-(2-furfurylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H21BrN3O3+ MolecularWeight: 395.27094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCC2=CC=CO2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCC2=CC=CO2)Br

InChI

InChI=1S/C17H20BrN3O3/c1-12-5-6-13(8-15(12)18)20-17(23)11-21(2)10-16(22)19-9-14-4-3-7-24-14/h3-8H,9-11H2,1-2H3,(H,19,22)(H,20,23)/p+1