[2-[[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H26ClN4O+ MolecularWeight: 397.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+](C)C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+](C)C)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN4O/c1-16-20(21(23)27(25-16)14-17-9-5-4-6-10-17)22(28)24-13-18-11-7-8-12-19(18)15-26(2)3/h4-12H,13-15H2,1-3H3,(H,24,28)/p+1