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

Systemtic Name: 4-(cyclopropylmethyl)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclopropylmethyl)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclopropylmethyl)-1-[[1-(4-fluorophenyl)-4-pyrazolyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclopropylmethyl)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclopropylmethyl)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4-diazepan-1-ium-5-one Formula: C19H24FN4O+ MolecularWeight: 343.418463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CC[NH+](CCC2=O)CC3=CN(N=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1CN2CC[NH+](CCC2=O)CC3=CN(N=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H23FN4O/c20-17-3-5-18(6-4-17)24-14-16(11-21-24)12-22-8-7-19(25)23(10-9-22)13-15-1-2-15/h3-6,11,14-15H,1-2,7-10,12-13H2/p+1