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

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(4-pyridin-1-ium-2-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=CC=[NH+]4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

InChI

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