4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethyl]-1,4-oxazepan-4-ium

Systemtic Name: 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethyl]-1,4-oxazepan-4-ium Openeye Name: 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethyl]-1,4-oxazepan-4-ium CAS Name: 4-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)ethyl]-1,4-oxazepan-4-ium IUPAC Name: 4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]-1,4-oxazepan-4-ium Traditional Name: 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethyl]-1,4-oxazepan-4-ium Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC[NH+]3CCCOCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC[NH+]3CCCOCC3

InChI

InChI=1S/C18H25N3O/c1-15-18(9-11-20-10-6-13-22-14-12-20)16(2)21(19-15)17-7-4-3-5-8-17/h3-5,7-8H,6,9-14H2,1-2H3/p+1