2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(indan-5-ylmethyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(indan-5-ylmethyl)piperidin-1-ium-2-yl]acetamide Formula: C25H31N6O+ MolecularWeight: 431.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC5=C(CCC5)C=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C25H30N6O/c1-18-13-24(29-25(28-18)30-11-10-27-17-30)31(12-3-2-7-22(31)15-23(26)32)16-19-8-9-20-5-4-6-21(20)14-19/h8-11,13-14,17,22H,2-7,12,15-16H2,1H3,(H-,26,32)/p+1