[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(1-ethylpyrazol-3-yl)methanone

Systemtic Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(1-ethylpyrazol-3-yl)methanone Openeye Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(1-ethylpyrazol-3-yl)methanone CAS Name: [4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumyl]-(1-ethyl-3-pyrazolyl)methanone IUPAC Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(1-ethylpyrazol-3-yl)methanone Traditional Name: [4-(3,4-dichlorobenzyl)piperazin-4-ium-1-yl]-(1-ethylpyrazol-3-yl)methanone Formula: C17H21Cl2N4O+ MolecularWeight: 368.28084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1C=CC(=N1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H20Cl2N4O/c1-2-23-6-5-16(20-23)17(24)22-9-7-21(8-10-22)12-13-3-4-14(18)15(19)11-13/h3-6,11H,2,7-10,12H2,1H3/p+1