N-[(2R)-1-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2R)-1-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1R)-1-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide CAS Name: N-[(2R)-1-[[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2R)-1-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1R)-1-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]-2-methyl-propyl]-2-furamide Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=CO1)[NH+]2CCCCC2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@H](C(=O)NC[C@H](C1=CC=CO1)[NH+]2CCCCC2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H29N3O4/c1-15(2)19(23-20(25)18-9-7-13-28-18)21(26)22-14-16(17-8-6-12-27-17)24-10-4-3-5-11-24/h6-9,12-13,15-16,19H,3-5,10-11,14H2,1-2H3,(H,22,26)(H,23,25)/p+1/t16-,19-/m1/s1