[3-[4-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]methylazanium

Systemtic Name: [3-[4-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]methylazanium Openeye Name: [3-[4-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]methylammonium CAS Name: [3-[[4-(3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [3-[4-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]methylazanium Traditional Name: [3-[4-(3,5-dimethylpyrazol-1-yl)butanoylamino]benzyl]ammonium Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCC(=O)NC2=CC=CC(=C2)C[NH3+])C

Isomeric SMILES

CC1=CC(=NN1CCCC(=O)NC2=CC=CC(=C2)C[NH3+])C

InChI

InChI=1S/C16H22N4O/c1-12-9-13(2)20(19-12)8-4-7-16(21)18-15-6-3-5-14(10-15)11-17/h3,5-6,9-10H,4,7-8,11,17H2,1-2H3,(H,18,21)/p+1