3-(4-chloranylpyrazol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-chloranylpyrazol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-chloropyrazol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-chloro-1-pyrazolyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-chloropyrazol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-chloropyrazol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C15H19ClN5O+ MolecularWeight: 320.79726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C=C(C=N3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C=C(C=N3)Cl

InChI

InChI=1S/C15H18ClN5O/c16-13-11-18-21(12-13)6-4-15(22)20-9-7-19(8-10-20)14-3-1-2-5-17-14/h1-3,5,11-12H,4,6-10H2/p+1