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

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C22H24N5O+ MolecularWeight: 374.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N5O/c28-22(26-14-12-25(13-15-26)18-8-10-23-11-9-18)21-16-20(17-6-7-17)24-27(21)19-4-2-1-3-5-19/h1-5,8-11,16-17H,6-7,12-15H2/p+1