1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-(4-fluorobenzyl)-1,4-diazepan-1-ium-5-one Formula: C19H26FN4O+ MolecularWeight: 345.434343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCC(=O)N(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC(=O)N(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H25FN4O/c1-3-24-14-17(15(2)21-24)13-22-9-8-19(25)23(11-10-22)12-16-4-6-18(20)7-5-16/h4-7,14H,3,8-13H2,1-2H3/p+1