(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H23N5O/c1-16-20(17(2)26(23-16)18-8-4-3-5-9-18)21(27)25-14-12-24(13-15-25)19-10-6-7-11-22-19/h3-11H,12-15H2,1-2H3/p+1