N-[(2S)-1-oxidanylidene-1-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-oxo-1-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methylamino]propan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-oxo-1-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]propan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[(2-pyrrolidinopyridin-1-ium-4-yl)methylamino]ethyl]-2-furamide Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=[NH+]C=C1)N2CCCC2)NC(=O)C3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=[NH+]C=C1)N2CCCC2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H22N4O3/c1-13(21-18(24)15-5-4-10-25-15)17(23)20-12-14-6-7-19-16(11-14)22-8-2-3-9-22/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,20,23)(H,21,24)/p+1/t13-/m0/s1