N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-7,8-dimethyl-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-7,8-dimethyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-7,8-dimethyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-7,8-dimethyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-7,8-dimethyl-chromene-2-carboxamide Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCC4)C

InChI

InChI=1S/C22H24N2O4/c1-14-7-8-16-18(25)12-20(28-21(16)15(14)2)22(26)23-13-17(19-6-5-11-27-19)24-9-3-4-10-24/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,23,26)/p+1/t17-/m0/s1