(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(3-propan-2-yloxypropyl)azanium

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(3-isopropoxypropyl)ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(3-isopropoxypropyl)ammonium Formula: C17H25ClN3O+ MolecularWeight: 322.8529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]CCCOC(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C[NH2+]CCCOC(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C17H24ClN3O/c1-13(2)22-11-7-10-19-12-16-14(3)20-21(17(16)18)15-8-5-4-6-9-15/h4-6,8-9,13,19H,7,10-12H2,1-3H3/p+1