1-(azepan-1-yl)-2-[4-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C25H36N5O2+ MolecularWeight: 438.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H35N5O2/c1-20-24(21(2)30(26-20)18-22-10-6-5-7-11-22)25(32)29-16-14-27(15-17-29)19-23(31)28-12-8-3-4-9-13-28/h5-7,10-11H,3-4,8-9,12-19H2,1-2H3/p+1