2-[[4-(5-acetamido-3-methyl-pyrazol-1-yl)phenyl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(5-acetamido-3-methyl-pyrazol-1-yl)phenyl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(5-acetamido-3-methyl-pyrazol-1-yl)benzoyl]-benzyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(5-acetamido-3-methyl-1-pyrazolyl)phenyl]-oxomethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(5-acetamido-3-methylpyrazol-1-yl)benzoyl]-benzylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(5-acetamido-3-methyl-pyrazol-1-yl)benzoyl]-benzyl-amino]ethyl-dimethyl-ammonium Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C)C2=CC=C(C=C2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C)C2=CC=C(C=C2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N5O2/c1-18-16-23(25-19(2)30)29(26-18)22-12-10-21(11-13-22)24(31)28(15-14-27(3)4)17-20-8-6-5-7-9-20/h5-13,16H,14-15,17H2,1-4H3,(H,25,30)/p+1