1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C26H37N6O+ MolecularWeight: 449.61158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=CN=NC(=N3)N4CCC(CC4)(C(=O)N)[NH+]5CCCCC5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=CN=NC(=N3)N4CCC(CC4)(C(=O)N)[NH+]5CCCCC5

InChI

InChI=1S/C26H36N6O/c27-24(33)26(32-15-5-2-6-16-32)13-17-31(18-14-26)25-29-23(19-28-30-25)22-11-9-21(10-12-22)20-7-3-1-4-8-20/h9-12,19-20H,1-8,13-18H2,(H2,27,33)/p+1