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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(1-methylpyrrol-2-yl)-2-(m-tolyl)pyrazol-3-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[2-(3-methylphenyl)-5-(1-methyl-2-pyrrolyl)-3-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(1-methylpyrrol-2-yl)-2-(m-tolyl)pyrazol-3-yl]methanone Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O/c1-4-25-11-13-26(14-12-25)22(28)21-16-19(20-9-6-10-24(20)3)23-27(21)18-8-5-7-17(2)15-18/h5-10,15-16H,4,11-14H2,1-3H3/p+1