6-methyl-3-[[(phenylmethyl)-propan-2-yl-azaniumyl]methyl]imidazo[1,2-a]pyridine-2-carboxylate

Systemtic Name: 6-methyl-3-[[(phenylmethyl)-propan-2-yl-azaniumyl]methyl]imidazo[1,2-a]pyridine-2-carboxylate Openeye Name: 3-[[benzyl(isopropyl)ammonio]methyl]-6-methyl-imidazo[1,2-a]pyridine-2-carboxylate CAS Name: 6-methyl-3-[[(phenylmethyl)-propan-2-ylammonio]methyl]-2-imidazo[1,2-a]pyridinecarboxylate IUPAC Name: 3-[[benzyl(propan-2-yl)azaniumyl]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylate Traditional Name: 3-[[benzyl(isopropyl)ammonio]methyl]-6-methyl-imidazo[1,2-a]pyridine-2-carboxylate Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=C2C[NH+](CC3=CC=CC=C3)C(C)C)C(=O)[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=C2C[NH+](CC3=CC=CC=C3)C(C)C)C(=O)[O-])C=C1

InChI

InChI=1S/C20H23N3O2/c1-14(2)22(12-16-7-5-4-6-8-16)13-17-19(20(24)25)21-18-10-9-15(3)11-23(17)18/h4-11,14H,12-13H2,1-3H3,(H,24,25)