3-(azepan-1-ium-1-ylmethyl)-6-methyl-imidazo[1,2-a]pyridine-2-carboxylate

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-6-methyl-imidazo[1,2-a]pyridine-2-carboxylate Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-6-methyl-imidazo[1,2-a]pyridine-2-carboxylate CAS Name: 3-(1-azepan-1-iumylmethyl)-6-methyl-2-imidazo[1,2-a]pyridinecarboxylate IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxylate Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-6-methyl-imidazo[1,2-a]pyridine-2-carboxylate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=C2C[NH+]3CCCCCC3)C(=O)[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=C2C[NH+]3CCCCCC3)C(=O)[O-])C=C1

InChI

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