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

Systemtic Name: [3-[(2-bromanyl-4-methyl-phenyl)-ethyl-amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-(2-bromo-N-ethyl-4-methyl-anilino)-3-oxo-propyl]ammonium CAS Name: [3-(2-bromo-N-ethyl-4-methylanilino)-3-oxopropyl]ammonium IUPAC Name: [3-(2-bromo-N-ethyl-4-methylanilino)-3-oxopropyl]azanium Traditional Name: [3-(2-bromo-N-ethyl-4-methyl-anilino)-3-keto-propyl]ammonium Formula: C12H18BrN2O+ MolecularWeight: 286.18812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)C)Br)C(=O)CC[NH3+]

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C)Br)C(=O)CC[NH3+]

InChI

InChI=1S/C12H17BrN2O/c1-3-15(12(16)6-7-14)11-5-4-9(2)8-10(11)13/h4-5,8H,3,6-7,14H2,1-2H3/p+1