[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C27H28N5O2+ MolecularWeight: 454.54352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c1-34-23-11-7-10-22(18-23)26-24(20-32(29-26)19-21-8-3-2-4-9-21)27(33)31-16-14-30(15-17-31)25-12-5-6-13-28-25/h2-13,18,20H,14-17,19H2,1H3/p+1