(3R)-3-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

Systemtic Name: (3R)-3-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: (3R)-3-hydroxy-3-[2-(5-methyl-2-thienyl)-2-oxo-ethyl]-1-(piperidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: (3R)-3-hydroxy-3-[2-(5-methyl-2-thiophenyl)-2-oxoethyl]-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: (3R)-3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: (3R)-3-hydroxy-3-[2-keto-2-(5-methyl-2-thienyl)ethyl]-1-(piperidin-1-ium-1-ylmethyl)oxindole Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CC2(C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4)O

Isomeric SMILES

CC1=CC=C(S1)C(=O)C[C@]2(C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4)O

InChI

InChI=1S/C21H24N2O3S/c1-15-9-10-19(27-15)18(24)13-21(26)16-7-3-4-8-17(16)23(20(21)25)14-22-11-5-2-6-12-22/h3-4,7-10,26H,2,5-6,11-14H2,1H3/p+1/t21-/m1/s1