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

Systemtic Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(cyclopropylmethyl)-1,4-diazepan-1-ium-5-one Formula: C19H24ClN4O+ MolecularWeight: 359.87306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CC[NH+](CCC2=O)CC3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1CN2CC[NH+](CCC2=O)CC3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H23ClN4O/c20-17-5-3-15(4-6-17)19-16(11-21-22-19)13-23-8-7-18(25)24(10-9-23)12-14-1-2-14/h3-6,11,14H,1-2,7-10,12-13H2,(H,21,22)/p+1