[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-(4-benzylpiperazin-4-ium-1-yl)methanone CAS Name: [5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-benzylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-(4-benzylpiperazin-4-ium-1-yl)methanone Formula: C23H26ClN4O+ MolecularWeight: 409.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O/c1-18-21(22(24)28(25-18)17-20-10-6-3-7-11-20)23(29)27-14-12-26(13-15-27)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3/p+1