azanium 3-(2-methoxyphenyl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: azanium 3-(2-methoxyphenyl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: ammonium 3-(2-methoxybenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: ammonium 3-[(2-methoxyphenyl)-oxomethyl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate IUPAC Name: azanium 3-(2-methoxybenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: ammonium 2-methyl-3-o-anisoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylate Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3OC.[NH4+]

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3OC.[NH4+]

InChI

InChI=1S/C19H21NO4.H3N/c1-12-11-15-13(19(22)23)7-5-6-10-20(15)17(12)18(21)14-8-3-4-9-16(14)24-2;/h3-4,8-9,11,13H,5-7,10H2,1-2H3,(H,22,23);1H3