N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-29-14-9-16(23-21(26)19-8-6-13-28-19)20(25)22-15-17(18-7-5-12-27-18)24-10-3-2-4-11-24/h5-8,12-13,16-17H,2-4,9-11,14-15H2,1H3,(H,22,25)(H,23,26)/p+1/t16-,17-/m0/s1