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

Systemtic Name: 1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-4-(6-methyl-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C25H29N5O+2 MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=C(C=C4)C=C(C=C5)OC

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=C(C=C4)C=C(C=C5)OC

InChI

InChI=1S/C25H27N5O/c1-18-4-3-5-24(27-18)30-12-10-29(11-13-30)17-22-16-26-28-25(22)21-7-6-20-15-23(31-2)9-8-19(20)14-21/h3-9,14-16H,10-13,17H2,1-2H3,(H,26,28)/p+2