(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (5-chloro-1,3-dimethyl-4-pyrazolyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C18H24ClN4O+ MolecularWeight: 347.86236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C18H23ClN4O/c1-14-16(17(19)21(2)20-14)18(24)23-12-10-22(11-13-23)9-8-15-6-4-3-5-7-15/h3-7H,8-13H2,1-2H3/p+1