[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-[(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[(1R)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C15H21BrN3O4+ MolecularWeight: 387.24894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)[C@H](C)C(=O)NC(=O)OC

InChI

InChI=1S/C15H20BrN3O4/c1-9-7-11(16)5-6-12(9)17-13(20)8-19(3)10(2)14(21)18-15(22)23-4/h5-7,10H,8H2,1-4H3,(H,17,20)(H,18,21,22)/p+1/t10-/m1/s1