[2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(4-chlorophenyl)-5-(1-methyl-2-pyrrolyl)-3-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C21H25ClN5O+ MolecularWeight: 398.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CN4C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CN4C

InChI

InChI=1S/C21H24ClN5O/c1-3-25-11-13-26(14-12-25)21(28)20-15-18(19-5-4-10-24(19)2)23-27(20)17-8-6-16(22)7-9-17/h4-10,15H,3,11-14H2,1-2H3/p+1