2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-phenethyl-piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-phenethyl-piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-phenethyl-piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-phenethyl-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-phenethylpiperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-phenethyl-piperidin-1-ium-2-yl]acetamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CCC4=CC=CC=C4

InChI

InChI=1S/C23H28N6O/c1-18-15-22(27-23(26-18)28-12-11-25-17-28)29(14-10-19-7-3-2-4-8-19)13-6-5-9-20(29)16-21(24)30/h2-4,7-8,11-12,15,17,20H,5-6,9-10,13-14,16H2,1H3,(H-,24,30)/p+1