(5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]-methyl-ammonium Formula: C21H24BrN4O2+ MolecularWeight: 444.34486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Br)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Br)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H23BrN4O2/c1-15-11-20(26(24-15)18-7-5-4-6-8-18)23-21(27)14-25(2)13-16-12-17(22)9-10-19(16)28-3/h4-12H,13-14H2,1-3H3,(H,23,27)/p+1