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

Systemtic Name: 2-acetamidoethyl-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-acetamidoethyl-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: 2-acetamidoethyl-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C14H21BrN3O2+ MolecularWeight: 343.23944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrN3O2/c1-10-8-12(15)4-5-13(10)17-14(20)9-18(3)7-6-16-11(2)19/h4-5,8H,6-7,9H2,1-3H3,(H,16,19)(H,17,20)/p+1