methyl 2-[(2-cyclohexyl-1-ethanoyl-imidazo[1,2-a]pyrimidin-4-ium-3-yl)amino]ethanoate

Systemtic Name: methyl 2-[(2-cyclohexyl-1-ethanoyl-imidazo[1,2-a]pyrimidin-4-ium-3-yl)amino]ethanoate Openeye Name: methyl 2-[(1-acetyl-2-cyclohexyl-imidazo[1,2-a]pyrimidin-4-ium-3-yl)amino]acetate CAS Name: 2-[(1-acetyl-2-cyclohexyl-3-imidazo[1,2-a]pyrimidin-4-iumyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(1-acetyl-2-cyclohexylimidazo[1,2-a]pyrimidin-4-ium-3-yl)amino]acetate Traditional Name: 2-[(1-acetyl-2-cyclohexyl-imidazo[1,2-a]pyrimidin-4-ium-3-yl)amino]acetic acid methyl ester Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C([N+]2=CC=CN=C12)NCC(=O)OC)C3CCCCC3

Isomeric SMILES

CC(=O)N1C(=C([N+]2=CC=CN=C12)NCC(=O)OC)C3CCCCC3

InChI

InChI=1S/C17H23N4O3/c1-12(22)21-15(13-7-4-3-5-8-13)16(19-11-14(23)24-2)20-10-6-9-18-17(20)21/h6,9-10,13,19H,3-5,7-8,11H2,1-2H3/q+1