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

Systemtic Name: (5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-1,3-dimethyl-pyrazol-4-yl)methanone CAS Name: (5-chloro-1,3-dimethyl-4-pyrazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-1,3-dimethyl-pyrazol-4-yl)methanone Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O/c1-13-15(16(18)20(2)19-13)17(23)22-10-8-21(9-11-22)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3/p+1