6-chloranyl-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide

Systemtic Name: 6-chloranyl-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide Openeye Name: 6-chloro-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide CAS Name: 6-chloro-4-oxo-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide Traditional Name: 6-chloro-4-keto-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]chromene-2-carboxamide Formula: C22H22ClN2O3+ MolecularWeight: 397.87468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H21ClN2O3/c23-17-7-8-20-18(11-17)19(26)12-21(28-20)22(27)24-13-15-5-1-2-6-16(15)14-25-9-3-4-10-25/h1-2,5-8,11-12H,3-4,9-10,13-14H2,(H,24,27)/p+1