potassium 3-(4-ethylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: potassium 3-(4-ethylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: potassium 3-(4-ethylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: potassium 3-[(4-ethylphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate IUPAC Name: potassium 3-(4-ethylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: potassium 3-(4-ethylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylate Formula: C19H20KNO3 MolecularWeight: 349.4653

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCCC3C(=O)[O-].[K+]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCCC3C(=O)[O-].[K+]

InChI

InChI=1S/C19H21NO3.K/c1-2-13-6-8-14(9-7-13)18(21)17-11-10-16-15(19(22)23)5-3-4-12-20(16)17;/h6-11,15H,2-5,12H2,1H3,(H,22,23);/q;+1/p-1