2-[1-(cyclohexylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(cyclohexylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(cyclohexylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(cyclohexylmethyl)-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(cyclohexylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(cyclohexylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C21H31N6O+ MolecularWeight: 383.51044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1CCC(CC1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C21H30N6O/c22-19(28)14-18-8-4-5-13-27(18,15-17-6-2-1-3-7-17)20-9-10-24-21(25-20)26-12-11-23-16-26/h9-12,16-18H,1-8,13-15H2,(H-,22,28)/p+1