[1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (1-benzylpyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (1-benzylpyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (1-benzylpyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H22N5O+ MolecularWeight: 348.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O/c26-20(18-14-22-25(16-18)15-17-6-2-1-3-7-17)24-12-10-23(11-13-24)19-8-4-5-9-21-19/h1-9,14,16H,10-13,15H2/p+1