2-oxidanylidene-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-3-carboxamide Openeye Name: 2-oxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-3-carboxamide CAS Name: 2-oxo-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-benzopyran-3-carboxamide IUPAC Name: 2-oxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-3-carboxamide Traditional Name: 2-keto-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]chromene-3-carboxamide Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H22N2O3/c25-21(19-13-18-5-1-2-6-20(18)27-22(19)26)23-14-16-7-9-17(10-8-16)15-24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12,14-15H2,(H,23,25)/p+1