N-[2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[2-[[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]-2-furamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H27N3O3/c1-16-8-4-5-13-24(16)14-7-12-22-20(25)17-9-2-3-10-18(17)23-21(26)19-11-6-15-27-19/h2-3,6,9-11,15-16H,4-5,7-8,12-14H2,1H3,(H,22,25)(H,23,26)/p+1/t16-/m0/s1