[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-methyl-ammonium Formula: C18H25BrN5O2+ MolecularWeight: 423.3274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)NC2=C(N(N=C2C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC(=O)NC2=C(N(N=C2C)C)C

InChI

InChI=1S/C18H24BrN5O2/c1-11-8-14(19)6-7-15(11)20-16(25)9-23(4)10-17(26)21-18-12(2)22-24(5)13(18)3/h6-8H,9-10H2,1-5H3,(H,20,25)(H,21,26)/p+1