4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1,4-oxazepan-4-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C[NH+]3CCCOCC3)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C[NH+]3CCCOCC3)C

InChI

InChI=1S/C18H25N3O/c1-15-12-16(2)21(19-15)14-18-6-4-17(5-7-18)13-20-8-3-10-22-11-9-20/h4-7,12H,3,8-11,13-14H2,1-2H3/p+1