3-(azepan-1-ium-1-ylmethyl)-7-methyl-imidazo[1,2-a]pyridine-2-carboxylate

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-7-methyl-imidazo[1,2-a]pyridine-2-carboxylate Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-7-methyl-imidazo[1,2-a]pyridine-2-carboxylate CAS Name: 3-(1-azepan-1-iumylmethyl)-7-methyl-2-imidazo[1,2-a]pyridinecarboxylate IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-7-methyl-imidazo[1,2-a]pyridine-2-carboxylate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)C[NH+]3CCCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)C[NH+]3CCCCCC3)C(=O)[O-]

InChI

InChI=1S/C16H21N3O2/c1-12-6-9-19-13(11-18-7-4-2-3-5-8-18)15(16(20)21)17-14(19)10-12/h6,9-10H,2-5,7-8,11H2,1H3,(H,20,21)