1-(azepan-1-yl)-2-[4-[4-(5-methylpyrazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[4-(5-methylpyrazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-ium-1-yl]ethanone Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N5O2/c1-19-10-11-24-28(19)21-8-6-20(7-9-21)23(30)27-16-14-25(15-17-27)18-22(29)26-12-4-2-3-5-13-26/h6-11H,2-5,12-18H2,1H3/p+1