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

Systemtic Name: 2-[1-heptyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-heptyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-heptyl-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-heptyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-heptyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C21H33N6O+ MolecularWeight: 385.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1(CCCCC1CC(=O)N)C2=NC(=NC=C2)N3C=CN=C3

Isomeric SMILES

CCCCCCC[N+]1(CCCCC1CC(=O)N)C2=NC(=NC=C2)N3C=CN=C3

InChI

InChI=1S/C21H32N6O/c1-2-3-4-5-7-14-27(15-8-6-9-18(27)16-19(22)28)20-10-11-24-21(25-20)26-13-12-23-17-26/h10-13,17-18H,2-9,14-16H2,1H3,(H-,22,28)/p+1