[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[2-keto-2-(propargylamino)ethyl]-methyl-ammonium Formula: C15H19BrN3O2+ MolecularWeight: 353.23426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN3O2/c1-4-7-17-14(20)9-19(3)10-15(21)18-13-6-5-12(16)8-11(13)2/h1,5-6,8H,7,9-10H2,2-3H3,(H,17,20)(H,18,21)/p+1