N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dimethyl-quinoxaline-6-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dimethyl-quinoxaline-6-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dimethyl-quinoxaline-6-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2,3-dimethyl-6-quinoxalinecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2,3-dimethylquinoxaline-6-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dimethyl-quinoxaline-6-carboxamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCC4)N=C1C

InChI

InChI=1S/C21H24N4O2/c1-14-15(2)24-18-12-16(7-8-17(18)23-14)21(26)22-13-19(20-6-5-11-27-20)25-9-3-4-10-25/h5-8,11-12,19H,3-4,9-10,13H2,1-2H3,(H,22,26)/p+1/t19-/m0/s1