[5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: [5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [5-cyclopropyl-1-[4-(3-methoxyphenyl)-2-pyrimidinyl]-4-pyrazolyl]-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C28H35N6O2+ MolecularWeight: 487.6165

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CCC(CC4)[NH+]5CCCCC5)C6CC6

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CCC(CC4)[NH+]5CCCCC5)C6CC6

InChI

InChI=1S/C28H34N6O2/c1-36-23-7-5-6-21(18-23)25-10-13-29-28(31-25)34-26(20-8-9-20)24(19-30-34)27(35)33-16-11-22(12-17-33)32-14-3-2-4-15-32/h5-7,10,13,18-20,22H,2-4,8-9,11-12,14-17H2,1H3/p+1