1-(5-chloranylpyridin-1-ium-2-yl)-4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranylpyridin-1-ium-2-yl)-4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(5-chloropyridin-1-ium-2-yl)-4-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(5-chloro-2-pyridin-1-iumyl)-4-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: 1-(5-chloropyridin-1-ium-2-yl)-4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-(5-chloropyridin-1-ium-2-yl)-4-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C24H26ClN5O+2 MolecularWeight: 435.94914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCN(CC4)C5=[NH+]C=C(C=C5)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCN(CC4)C5=[NH+]C=C(C=C5)Cl

InChI

InChI=1S/C24H24ClN5O/c1-31-22-6-4-17-12-19(3-2-18(17)13-22)24-20(14-27-28-24)16-29-8-10-30(11-9-29)23-7-5-21(25)15-26-23/h2-7,12-15H,8-11,16H2,1H3,(H,27,28)/p+2