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

Systemtic Name: (3S)-1-(morpholin-4-ium-4-ylmethyl)-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-indol-2-one Openeye Name: (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[2-(3-nitrophenyl)-2-oxo-ethyl]indolin-2-one CAS Name: (3S)-3-hydroxy-1-(4-morpholin-4-iumylmethyl)-3-[2-(3-nitrophenyl)-2-oxoethyl]-2-indolone IUPAC Name: (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[2-(3-nitrophenyl)-2-oxoethyl]indol-2-one Traditional Name: (3S)-3-hydroxy-3-[2-keto-2-(3-nitrophenyl)ethyl]-1-(morpholin-4-ium-4-ylmethyl)oxindole Formula: C21H22N3O6+ MolecularWeight: 412.41588

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

C1COCC[NH+]1CN2C3=CC=CC=C3[C@](C2=O)(CC(=O)C4=CC(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H21N3O6/c25-19(15-4-3-5-16(12-15)24(28)29)13-21(27)17-6-1-2-7-18(17)23(20(21)26)14-22-8-10-30-11-9-22/h1-7,12,27H,8-11,13-14H2/p+1/t21-/m0/s1