2-(2-methylpropanoylamino)ethyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: 2-(2-methylpropanoylamino)ethyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: 2-(2-methylpropanoylamino)ethyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: 2-[(2-methyl-1-oxopropyl)amino]ethyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: 2-(2-methylpropanoylamino)ethyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: 2-(isobutyrylamino)ethyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)NCC[NH2+]CC1=CN(N=C1)C2=CC=CC=C2

InChI

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