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

Systemtic Name: [2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(2,5-dimethylphenyl)-5-(1-methyl-2-pyrrolyl)-3-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O/c1-5-26-11-13-27(14-12-26)23(29)22-16-19(20-7-6-10-25(20)4)24-28(22)21-15-17(2)8-9-18(21)3/h6-10,15-16H,5,11-14H2,1-4H3/p+1