(3S)-3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

Systemtic Name: (3S)-3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: (3S)-3-[2-(4-bromophenyl)-2-oxo-ethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: (3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: (3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: (3S)-3-[2-(4-bromophenyl)-2-keto-ethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)oxindole Formula: C22H24BrN2O3+ MolecularWeight: 444.34156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=C(C=C4)Br)O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3[C@](C2=O)(CC(=O)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C22H23BrN2O3/c23-17-10-8-16(9-11-17)20(26)14-22(28)18-6-2-3-7-19(18)25(21(22)27)15-24-12-4-1-5-13-24/h2-3,6-11,28H,1,4-5,12-15H2/p+1/t22-/m0/s1