6-chloranyl-4-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]chromene-2-carboxamide

Systemtic Name: 6-chloranyl-4-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]chromene-2-carboxamide Openeye Name: 6-chloro-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]chromene-2-carboxamide CAS Name: 6-chloro-4-oxo-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]chromene-2-carboxamide Traditional Name: 6-chloro-4-keto-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]chromene-2-carboxamide Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)[NH+]4CCCCC4

InChI

InChI=1S/C22H27ClN2O3/c23-16-7-8-19-17(13-16)18(26)14-20(28-19)21(27)24-15-22(9-3-1-4-10-22)25-11-5-2-6-12-25/h7-8,13-14H,1-6,9-12,15H2,(H,24,27)/p+1