N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]furan-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]-2-furamide Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H24N4O3/c1-14(2)17(21-18(24)15-6-5-13-26-15)19(25)23-11-9-22(10-12-23)16-7-3-4-8-20-16/h3-8,13-14,17H,9-12H2,1-2H3,(H,21,24)/p+1/t17-/m0/s1