(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C17H24ClN4O+ MolecularWeight: 335.85166

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CC1=C(N(N=C1C)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCNC(=O)C[NH+](C)CC1=C(N(N=C1C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C17H23ClN4O/c1-4-10-19-16(23)12-21(3)11-15-13(2)20-22(17(15)18)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3,(H,19,23)/p+1