6-chloranyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2H-chromene-3-carboxamide

Systemtic Name: 6-chloranyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2H-chromene-3-carboxamide Openeye Name: 6-chloro-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2H-chromene-3-carboxamide CAS Name: 6-chloro-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: 6-chloro-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2H-chromene-3-carboxamide Traditional Name: 6-chloro-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2H-chromene-3-carboxamide Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)[NH+]4CCOCC4

InChI

InChI=1S/C21H27ClN2O3/c22-18-4-5-19-16(13-18)12-17(14-27-19)20(25)23-15-21(6-2-1-3-7-21)24-8-10-26-11-9-24/h4-5,12-13H,1-3,6-11,14-15H2,(H,23,25)/p+1